jscaux
/
ABACUS-v1
3
0
Fork 0
Code Issues 1 Pull Requests Releases Wiki Activity

Clean up sources up to (before) src/SCAN.

This commit is contained in:
J.-S. Caux 2018-02-11 10:01:56 +01:00
parent d337885305
commit e7dd24d337
28 changed files with 1046 additions and 2987 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

19
ABACUS.org
View File

@ -1,5 +1,5 @@
#+TODO: TODO(t@) | DONE(d@)
#+TODO: BUGREPORT(b@) CRITICAL(#@) | SOLVED(s@)
#+TODO: BUGREPORT(b@) BUGRISK(?@) CRITICAL(#@) | SOLVED(s@)
#+TODO: CONCEPT(c@) UPDATED(u@) | REJECTED(r@)
#+TODO: PICKEDUP(p@) | ABANDONED(k@) IMPLEMENTED(i@)
@ -24,6 +24,23 @@ Type your description here
:END:
* Bugrisks :ABACUS:Dev:Bugrisks:
:PROPERTIES:
:ARCHIVE: %s_archive::* Bugrisks
:CUSTOM_ID: Bugrisks
:END:
TIP: Search for the string BUGRISK in the codebase
** BUGRISK Value of LiebLin ln_Density_ME
- State "BUGRISK" from "" [2018-02-11 Sun 09:11]
File: ln_Density_ME.cc
line 66
Why real?
* Priority :ABACUS:Dev:Priority:
:PROPERTIES:
:ARCHIVE: %s_archive::* Priority

7
README.md
View File

@ -25,11 +25,16 @@ $ make
```
This will produce all executables, together with a library `ABACUS_[vn]` where vn is of the form [digit][character].
## Warnings
* The ODSLF part (for one-dimensional spinless fermions) is not functional: it is based on the old Young Tableaux ids, and must be upgraded to `State_Label`s.
* The Richardson part is not implemented; what exists is old and long deprecated.
## Acknowledgements
__Antoine Klauser__ provided functions for computing neighbour-operator-product matrix elements in XXX: `ln_Szz_ME`, `ln_Szm_p_Smz_ME` and `ln_Smm_ME`.
__Jacopo De Nardis__ provided the code for the `ln_g2_ME` function for Lieb-Liniger.
__Miłosz Panfil__ contributed to code to help in the calculation of finite-temperature correlations of Lieb-Liniger.
__Jacopo De Nardis__ contributed code for the `ln_g2_ME` function for Lieb-Liniger.
__Teun Zwart__ has given much useful advice concerning C++ code organization.

205
src/LIEBLIN/LiebLin_Bethe_State.cc
View File

@ -24,27 +24,26 @@ namespace ABACUS {
LiebLin_Bethe_State::LiebLin_Bethe_State ()
: c_int (0.0), L(0.0), cxL(0.0), N(0),
//OriginStateIxe(Vect<int>(0,1)),
Ix2_available(Vect<int>(0, 1)), index_first_hole_to_right (Vect<int>(0,1)), displacement (Vect<int>(0,1)),
Ix2(Vect<int>(0, 1)), lambdaoc(Vect<DP>(0.0, 1)), //BE(Vect<DP>(0.0, 1)),
Ix2(Vect<int>(0, 1)), lambdaoc(Vect<DP>(0.0, 1)),
S(Vect<DP>(0.0, 1)), dSdlambdaoc(Vect<DP>(0.0, 1)),
diffsq(0.0), prec(ITER_REQ_PREC_LIEBLIN), conv(0), iter_Newton(0), E(0.0), iK(0), K(0.0), lnnorm(-100.0)
{
stringstream Nout; Nout << N; label = Nout.str() + LABELSEP + ABACUScoding[0] + LABELSEP;//"_0_";
stringstream Nout; Nout << N; label = Nout.str() + LABELSEP + ABACUScoding[0] + LABELSEP;
}
LiebLin_Bethe_State::LiebLin_Bethe_State (DP c_int_ref, DP L_ref, int N_ref)
: c_int(c_int_ref), L(L_ref), cxL(c_int_ref * L_ref), N(N_ref),
//OriginStateIx2(Vect<int>(0,N),
Ix2_available(Vect<int>(0, 2)), index_first_hole_to_right (Vect<int>(0,N)), displacement (Vect<int>(0,N)),
Ix2(Vect<int>(0, N)), lambdaoc(Vect<DP>(0.0, N)), //BE(Vect<DP>(0.0, N)),
Ix2(Vect<int>(0, N)), lambdaoc(Vect<DP>(0.0, N)),
S(Vect<DP>(0.0, N)), dSdlambdaoc(Vect<DP>(0.0, N)),
diffsq(0.0), prec(ABACUS::max(1.0, 1.0/(c_int * c_int)) * ITER_REQ_PREC_LIEBLIN), conv(0), iter_Newton(0), E(0.0), iK(0), K(0.0), lnnorm(-100.0)
diffsq(0.0), prec(ABACUS::max(1.0, 1.0/(c_int * c_int)) * ITER_REQ_PREC_LIEBLIN),
conv(0), iter_Newton(0), E(0.0), iK(0), K(0.0), lnnorm(-100.0)
{
if (c_int < 0.0) ABACUSerror("You must use a positive interaction parameter !");
if (N < 0) ABACUSerror("Particle number must be strictly positive.");
stringstream Nout; Nout << N; label = Nout.str() + LABELSEP + ABACUScoding[0] + LABELSEP;//+ "_0_";
stringstream Nout; Nout << N; label = Nout.str() + LABELSEP + ABACUScoding[0] + LABELSEP;
// Set quantum numbers to ground-state configuration:
for (int i = 0; i < N; ++i) Ix2[i] = -(N-1) + 2*i;
@ -52,7 +51,6 @@ namespace ABACUS {
Vect<int> OriginIx2 = Ix2;
(*this).Set_Label_from_Ix2 (OriginIx2);
//(*this).Set_Label_Internals_from_Ix2 (OriginIx2);
}
@ -69,7 +67,6 @@ namespace ABACUS {
displacement = RefState.displacement;
Ix2 = RefState.Ix2;
lambdaoc = RefState.lambdaoc;
//BE = RefState.BE;
S = RefState.S;
dSdlambdaoc = RefState.dSdlambdaoc;
diffsq = RefState.diffsq;
@ -114,11 +111,7 @@ namespace ABACUS {
// Now reorder the Ix2 to follow convention:
Ix2.QuickSort();
//cout << "Setting label:" << label_ref << endl << "Ix2old = " << labeldata.Ix2old[0] << endl << "Ix2exc = " << labeldata.Ix2exc[0] << endl;
//cout << "on " << OriginStateIx2ordered << endl << "giving " << Ix2 << endl;
(*this).Set_Label_from_Ix2 (OriginStateIx2ordered);
//(*this).Set_Label_Internals_from_Ix2 (OriginStateIx2ordered);
}
void LiebLin_Bethe_State::Set_to_Label (string label_ref)
@ -138,7 +131,6 @@ namespace ABACUS {
if (N != OriginStateIx2.size()) ABACUSerror("N != OriginStateIx2.size() in Set_Label_from_Ix2.");
//cout << "Setting label on Ix2 " << endl << Ix2 << endl;
// Set the state label:
Vect<int> type_ref(0,1);
@ -173,44 +165,8 @@ namespace ABACUS {
label = Return_State_Label (labeldata, OriginStateIx2);
}
/*
void LiebLin_Bethe_State::Set_Label_from_Ix2 (const Vect<int>& OriginStateIx2)
{
// This function was deprecated since it assumed that the Ix2 of the state were
// in a particular order mirroring the indices of OriginStateIx2.
if (N != OriginStateIx2.size()) ABACUSerror("N != OriginStateIx2.size() in Set_Label_from_Ix2.");
Vect<int> OriginStateIx2ordered = OriginStateIx2;
OriginStateIx2ordered.QuickSort();
// Set the state label:
Vect<int> type_ref(0,1);
Vect<int> M_ref(N, 1);
Vect<int> nexc_ref(0, 1);
// Count nr of particle-holes:
for (int i = 0; i < N; ++i) if (Ix2[i] != OriginStateIx2ordered[i]) nexc_ref[0] += 1;
Vect<Vect<int> > Ix2old_ref(1);
Vect<Vect<int> > Ix2exc_ref(1);
Ix2old_ref[0] = Vect<int>(ABACUS::max(nexc_ref[0],1));
Ix2exc_ref[0] = Vect<int>(ABACUS::max(nexc_ref[0],1));
int nexccheck = 0;
for (int i = 0; i < N; ++i)
if (Ix2[i] != OriginStateIx2ordered[i]) {
Ix2old_ref[0][nexccheck] = OriginStateIx2ordered[i];
Ix2exc_ref[0][nexccheck++] = Ix2[i];
}
State_Label_Data labeldata(type_ref, M_ref, nexc_ref, Ix2old_ref, Ix2exc_ref);
label = Return_State_Label (labeldata);
}
*/
void LiebLin_Bethe_State::Set_Label_Internals_from_Ix2 (const Vect<int>& OriginStateIx2)
{
//ABACUSerror("LiebLin_Bethe_State::Set_Label_Internals_from_Ix2 deprecated 20110604");
if (N != OriginStateIx2.size()) ABACUSerror("N != OriginStateIx2.size() in Set_Label_Internals_from_Ix2.");
Vect<int> OriginStateIx2ordered = OriginStateIx2;
@ -238,12 +194,14 @@ namespace ABACUS {
label = Return_State_Label (labeldata, OriginStateIx2);
// Construct the Ix2_available vector: we give one more quantum number on left and right:
int navailable = 2 + (ABACUS::max(Ix2.max(), OriginStateIx2.max()) - ABACUS::min(Ix2.min(), OriginStateIx2.min()))/2 - N + 1;
int navailable = 2 + (ABACUS::max(Ix2.max(), OriginStateIx2.max())
- ABACUS::min(Ix2.min(), OriginStateIx2.min()))/2 - N + 1;
Ix2_available = Vect<int>(navailable);
index_first_hole_to_right = Vect<int>(N);
// First set Ix2_available to all holes from left
for (int i = 0; i < Ix2_available.size(); ++i) Ix2_available[i] = ABACUS::min(Ix2.min(), OriginStateIx2.min()) - 2 + 2*i;
for (int i = 0; i < Ix2_available.size(); ++i)
Ix2_available[i] = ABACUS::min(Ix2.min(), OriginStateIx2.min()) - 2 + 2*i;
// Now shift according to Ix2 of OriginState:
for (int j = 0; j < N; ++j) {
@ -261,11 +219,10 @@ namespace ABACUS {
for (int j = 0; j < N; ++j) {
if (Ix2[j] < OriginStateIx2ordered[j]) {
// Ix2[j] must be equal to some OriginState_Ix2_available[i] for i < OriginState_index_first_hole_to_right[j]
//cout << "Going down\t" << Ix2[j] << "\t" << index_first_hole_to_right[j] << "\t" << displacement[j] << endl;
while (Ix2[j] != Ix2_available[index_first_hole_to_right[j] + displacement[j] ]) {
//cout << j << "\t" << index_first_hole_to_right[j] << "\t" << displacement[j] << "\t" << Ix2_available[index_first_hole_to_right[j] + displacement[j] ] << endl;
if (index_first_hole_to_right[j] + displacement[j] == 0) {
cout << label << endl << j << endl << OriginStateIx2 << endl << Ix2 << endl << Ix2_available << endl << index_first_hole_to_right << endl << displacement << endl;
cout << label << endl << j << endl << OriginStateIx2 << endl << Ix2 << endl << Ix2_available
<< endl << index_first_hole_to_right << endl << displacement << endl;
ABACUSerror("Going down too far in Set_Label_Internals...");
}
displacement[j]--;
@ -273,23 +230,17 @@ namespace ABACUS {
}
if (Ix2[j] > OriginStateIx2ordered[j]) {
// Ix2[j] must be equal to some Ix2_available[i] for i >= index_first_hole_to_right[j]
//cout << "Going up\t" << Ix2[j] << "\t" << index_first_hole_to_right[j] << "\t" << displacement[j] << endl;
displacement[j] = 1; // start with this value to prevent segfault
while (Ix2[j] != Ix2_available[index_first_hole_to_right[j] - 1 + displacement[j] ]) {
//cout << j << "\t" << index_first_hole_to_right[j] << "\t" << displacement[j] << "\t" << Ix2_available[index_first_hole_to_right[j] + displacement[j] ] << endl;
if (index_first_hole_to_right[j] + displacement[j] == Ix2_available.size() - 1) {
cout << label << endl << j << endl << OriginStateIx2 << endl << Ix2 << endl << Ix2_available << endl << index_first_hole_to_right << endl << displacement << endl;
cout << label << endl << j << endl << OriginStateIx2 << endl << Ix2 << endl << Ix2_available
<< endl << index_first_hole_to_right << endl << displacement << endl;
ABACUSerror("Going up too far in Set_Label_Internals...");
}
displacement[j]++;
}
}
}
//cout << "label " << label << endl;
//cout << "Ix2: " << Ix2 << endl << "Ix2_available: " << Ix2_available << endl << "index...: " << index_first_hole_to_right << endl << "displacement: " << displacement << endl;
//char a; cin >> a;
}
bool LiebLin_Bethe_State::Check_Admissibility (char whichDSF)
@ -307,43 +258,25 @@ namespace ABACUS {
diffsq = 1.0;
if (reset_rapidities) (*this).Set_Free_lambdaocs();
/*
// Start with normal iterations:
//for (int niternormal = 0; niternormal < 10; ++niternormal) {
for (int niternormal = 0; niternormal < N; ++niternormal) {
//(*this).Iterate_BAE(0.99);
(*this).Iterate_BAE(0.9);
cout << "Normal: " << niternormal << "\t" << diffsq << endl;
cout << (*this).lambdaoc << endl;
if (diffsq < sqrt(prec)) break;
}
*/
iter_Newton = 0;
DP damping = 1.0;
DP diffsq_prev = 1.0e+6;
//while (diffsq > prec && !is_nan(diffsq) && iter_Newton < 40) {
while (diffsq > prec && !is_nan(diffsq) && iter_Newton < 100) {
//while (diffsq > prec && !is_nan(diffsq) && iter_Newton < 400) {
(*this).Iterate_BAE_Newton(damping);
//(*this).Iterate_BAE_S(damping); // Not as fast as Newton for N up to ~ 256
//if (diffsq > diffsq_prev) damping /= 2.0;
if (diffsq > diffsq_prev && damping > 0.5) damping /= 2.0;
else if (diffsq < diffsq_prev) damping = 1.0;
diffsq_prev = diffsq;
//cout << iter_Newton << "\t" << diffsq << "\t" << damping << endl;
//cout << (*this).lambdaoc << endl;
}
conv = ((diffsq < prec) && (*this).Check_Rapidities()) ? 1 : 0;
if (!conv) {
cout << "Alert! State " << label << " did not converge... diffsq " << diffsq << "\titer_Newton " << iter_Newton << (*this) << endl;
//char a; cin >> a;
cout << "Alert! State " << label << " did not converge... diffsq " << diffsq
<< "\titer_Newton " << iter_Newton << (*this) << endl;
}
//cout << (*this) << endl;
return;
}
@ -388,7 +321,8 @@ namespace ABACUS {
// Add the pieces outside of Gaudin determinant
for (int j = 0; j < N - 1; ++j) for (int k = j+1; k < N; ++k) lnnorm += log(1.0 + 1.0/pow(lambdaoc[j] - lambdaoc[k], 2.0));
for (int j = 0; j < N - 1; ++j) for (int k = j+1; k < N; ++k)
lnnorm += log(1.0 + 1.0/pow(lambdaoc[j] - lambdaoc[k], 2.0));
}
@ -413,15 +347,10 @@ namespace ABACUS {
// For small values of c, use better approximation using approximate zeroes of Hermite polynomials: see Gaudin eqn 4.71.
if (cxL < 1.0) {
//DP sqrtcL = pow(cxL, 0.5);
DP oneoversqrtcLN = 1.0/pow(cxL * N, 0.5);
for (int a = 0; a < N; ++a) lambdaoc[a] = oneoversqrtcLN * PI * Ix2[a];
//for (int a = 0; a < N; ++a) lambdaoc[a] = sqrtcL * PI * Ix2[a]; // wrong values, correct scaling with c
//for (int a = 0; a < N; ++a) lambdaoc[a] = PI * Ix2[a]/(cxL + 2.0 * N); // set to minimal distance lattice
}
//cout << "Set free lambdaocs to: " << endl << lambdaoc << endl;
return;
}
@ -443,19 +372,13 @@ namespace ABACUS {
}
diffsq = 0.0;
//DP sumsq = 0.0;
for (int i = 0; i < N; ++i) {
lambdaoc[i] += dlambdaoc[i];
//sumsq += lambdaoc[i] * lambdaoc[i];
//diffsq += dlambdaoc[i] * dlambdaoc[i];
//if (cxL > 1.0) diffsq += dlambdaoc[i] * dlambdaoc[i];
//else diffsq += cxL * cxL * dlambdaoc[i] * dlambdaoc[i];
// Normalize the diffsq by the typical value of the rapidities:
if (cxL > 1.0) diffsq += dlambdaoc[i] * dlambdaoc[i]/(lambdaoc[i] * lambdaoc[i] + 1.0e-6);
else diffsq += cxL * cxL * dlambdaoc[i] * dlambdaoc[i]/(lambdaoc[i] * lambdaoc[i] + 1.0e-6);
}
diffsq /= DP(N);
//diffsq /= sqrt(sumsq) * DP(N);
return;
}
@ -463,7 +386,8 @@ namespace ABACUS {
void LiebLin_Bethe_State::Iterate_BAE_S (DP damping)
{
// This is essentially Newton's method but only in one variable.
// The logic is that the derivative of the LHS of the BE_j w/r to lambdaoc_j is much larger than with respect to lambdaoc_l with l != j.
// The logic is that the derivative of the LHS of the BE_j w/r to lambdaoc_j is much larger
// than with respect to lambdaoc_l with l != j.
Vect_DP dlambdaoc (0.0, N);
@ -475,7 +399,8 @@ namespace ABACUS {
S[j] *= 2.0/cxL;
dSdlambdaoc[j] = 0.0;
for (int k = 0; k < N; ++k) dSdlambdaoc[j] += 1.0/((lambdaoc[j] - lambdaoc[k]) * (lambdaoc[j] - lambdaoc[k]) + 1.0);
for (int k = 0; k < N; ++k)
dSdlambdaoc[j] += 1.0/((lambdaoc[j] - lambdaoc[k]) * (lambdaoc[j] - lambdaoc[k]) + 1.0);
dSdlambdaoc[j] *= 2.0/(PI * cxL);
dlambdaoc[j] = (PI*Ix2[j]/cxL - S[j] + lambdaoc[j] * dSdlambdaoc[j])/(1.0 + dSdlambdaoc[j]) - lambdaoc[j];
@ -526,8 +451,6 @@ namespace ABACUS {
}
sumtheta *= 2.0;
//cout << j << "\t" << Ix2[j] << "\t" << atanintshift << endl;
RHSBAE[j] = cxL * lambdaoc[j] + sumtheta - PI*(Ix2[j] - atanintshift);
}
@ -535,14 +458,10 @@ namespace ABACUS {
for (int j = 0; j < N; ++j) dlambdaoc[j] = - RHSBAE[j];
//cout << "dlambdaoc pre lubksb = " << dlambdaoc << endl;
DP d;
ludcmp (Gaudin, indx, d);
lubksb (Gaudin, indx, dlambdaoc);
//cout << "dlambdaoc post lubksb = " << dlambdaoc << endl;
bool ordering_changed = false;
for (int j = 0; j < N-1; ++j) if (lambdaoc[j] + dlambdaoc[j] > lambdaoc[j+1] + dlambdaoc[j+1]) ordering_changed = true;
@ -553,71 +472,35 @@ namespace ABACUS {
DP maxdlambdaoc = 0.0;
do {
ordering_still_changed = false;
if (dlambdaoc[0] < 0.0 && fabs(dlambdaoc[0]) > (maxdlambdaoc = 10.0*ABACUS::max(fabs(lambdaoc[0]), fabs(lambdaoc[N-1]))))
if (dlambdaoc[0] < 0.0 && fabs(dlambdaoc[0])
> (maxdlambdaoc = 10.0*ABACUS::max(fabs(lambdaoc[0]), fabs(lambdaoc[N-1]))))
dlambdaoc[0] = -maxdlambdaoc;
if (lambdaoc[0] + dlambdaoc[0] > lambdaoc[1] + dlambdaoc[1]) {
dlambdaoc[0] = 0.25 * (lambdaoc[1] + dlambdaoc[1] - lambdaoc[0] ); // max quarter distance
ordering_still_changed = true;
//cout << "reason 1" << endl;
}
if (dlambdaoc[N-1] > 0.0 && fabs(dlambdaoc[N-1]) > (maxdlambdaoc = 10.0*ABACUS::max(fabs(lambdaoc[0]), fabs(lambdaoc[N-1]))))
if (dlambdaoc[N-1] > 0.0 && fabs(dlambdaoc[N-1])
> (maxdlambdaoc = 10.0*ABACUS::max(fabs(lambdaoc[0]), fabs(lambdaoc[N-1]))))
dlambdaoc[N-1] = maxdlambdaoc;
if (lambdaoc[N-1] + dlambdaoc[N-1] < lambdaoc[N-2] + dlambdaoc[N-2]) {
dlambdaoc[N-1] = 0.25 * (lambdaoc[N-2] + dlambdaoc[N-2] - lambdaoc[N-1]);
ordering_still_changed = true;
//cout << "reason 2" << endl;
}
for (int j = 1; j < N-1; ++j) {
if (lambdaoc[j] + dlambdaoc[j] > lambdaoc[j+1] + dlambdaoc[j+1]) {
dlambdaoc[j] = 0.25 * (lambdaoc[j+1] + dlambdaoc[j+1] - lambdaoc[j]);
ordering_still_changed = true;
//cout << "reason 3" << endl;
}
if (lambdaoc[j] + dlambdaoc[j] < lambdaoc[j-1] + dlambdaoc[j-1]) {
dlambdaoc[j] = 0.25 * (lambdaoc[j-1] + dlambdaoc[j-1] - lambdaoc[j]);
ordering_still_changed = true;
//cout << "reason 4" << endl;
}
}
} while (ordering_still_changed);
}
//if (ordering_changed) cout << "dlambdaoc post checking = " << dlambdaoc << endl;
/*
bool orderingchanged = false;
//bool dlambdaexceedsmaxrapdiff = false;
DP damping_to_use = damping;
for (int j = 0; j < N-1; ++j) {
if (lambdaoc[j] + dlambdaoc[j] > lambdaoc[j+1] + dlambdaoc[j+1]) // unacceptable, order changed!
orderingchanged = true;
// We must damp the dlambda such that the ordering is unchanged:
// the condition is lambdaoc[j] + damping*dlambdaoc[j] < lambdaoc[j+1] + damping*dlambdaoc[j+1]
damping_to_use = ABACUS::min(damping_to_use, 0.5 * (lambdaoc[j+1] - lambdaoc[j])/(dlambdaoc[j] - dlambdaoc[j+1]));
}
*/
//for (int j = 0; j < N; ++j)
//if (fabs(dlambdaoc[j]) > maxrapdiff) dlambdaexceedsmaxrapdiff = true;
/*
// The dlambdaoc must be smaller than the distance to neighbouring rapidities:
// If any dlambdaoc is greater than half the distance, set all to half the previous distance:
if (orderingchanged || dlambdaexceedsmaxrapdiff) {
if (dlambdaoc[0] > 0.0) dlambdaoc[0] = 0.25 * (lambdaoc[1] - lambdaoc[0]);
//else dlambdaoc[0] = 0.25 * (lambdaoc[0] - lambdaoc[1]);
else dlambdaoc[0] = -fabs(lambdaoc[0]); // strictly limit the growth of lambdaoc[0]
//if (dlambdaoc[N-1] > 0.0) dlambdaoc[N-1] = 0.25 * (lambdaoc[N-1] - lambdaoc[N-2]);
if (dlambdaoc[N-1] > 0.0) dlambdaoc[N-1] = fabs(lambdaoc[N-1]); // strictly limit the growth of lambdaoc[N-1]
else dlambdaoc[N-1] = 0.25 * (lambdaoc[N-2] - lambdaoc[N-1]);
for (int j = 1; j < N-1; ++j) {
if (dlambdaoc[j] > 0.0) dlambdaoc[j] = 0.25 * (lambdaoc[j+1] - lambdaoc[j]);
if (dlambdaoc[j] < 0.0) dlambdaoc[j] = 0.25 * (lambdaoc[j-1] - lambdaoc[j]);
}
//cout << "Corrected dlambdaoc = " << dlambdaoc << endl;
}
*/
diffsq = 0.0;
for (int i = 0; i < N; ++i) {
//diffsq += dlambdaoc[i] * dlambdaoc[i];
// Normalize the diffsq by the typical value of the rapidities:
if (cxL > 1.0) diffsq += dlambdaoc[i] * dlambdaoc[i]/(lambdaoc[i] * lambdaoc[i] + 1.0e-6);
else diffsq += cxL * cxL * dlambdaoc[i] * dlambdaoc[i]/(lambdaoc[i] * lambdaoc[i] + 1.0e-6);
@ -627,20 +510,20 @@ namespace ABACUS {
if (ordering_changed) diffsq = 1.0; // reset if Newton wanted to change ordering
for (int j = 0; j < N; ++j) lambdaoc[j] += damping * dlambdaoc[j];
//for (int j = 0; j < N; ++j) lambdaoc[j] += damping_to_use * dlambdaoc[j];
iter_Newton++;
// if we've converged, calculate the norm here, since the work has been done...
//if (diffsq < prec && !orderingchanged && !dlambdaexceedsmaxrapdiff) {
if (diffsq < prec && !ordering_changed) {
lnnorm = 0.0;
for (int j = 0; j < N; j++) lnnorm += log(fabs(Gaudin[j][j]));
// Add the pieces outside of Gaudin determinant
for (int j = 0; j < N - 1; ++j) for (int k = j+1; k < N; ++k) lnnorm += log(1.0 + 1.0/pow(lambdaoc[j] - lambdaoc[k], 2.0));
for (int j = 0; j < N - 1; ++j)
for (int k = j+1; k < N; ++k)
lnnorm += log(1.0 + 1.0/pow(lambdaoc[j] - lambdaoc[k], 2.0));
}
return;
@ -657,7 +540,6 @@ namespace ABACUS {
{
iK = 0;
for (int j = 0; j < N; ++j) {
//cout << j << "\t" << iK << "\t" << Ix2[j] << endl;
iK += Ix2[j];
}
if (iK % 2) {
@ -683,7 +565,8 @@ namespace ABACUS {
void LiebLin_Bethe_State::Build_Reduced_Gaudin_Matrix (SQMat<DP>& Gaudin_Red)
{
if (Gaudin_Red.size() != N) ABACUSerror("Passing matrix of wrong size in Build_Reduced_Gaudin_Matrix.");
if (Gaudin_Red.size() != N)
ABACUSerror("Passing matrix of wrong size in Build_Reduced_Gaudin_Matrix.");
DP sum_Kernel = 0.0;
@ -717,7 +600,8 @@ namespace ABACUS {
if (!ck) ABACUSerror("Choose a parity invariant state please");
if (Gaudin_Red.size() != N/2) ABACUSerror("Passing matrix of wrong size in Build_Reduced_Gaudin_Matrix.");
if (Gaudin_Red.size() != N/2)
ABACUSerror("Passing matrix of wrong size in Build_Reduced_Gaudin_Matrix.");
DP sum_Kernel = 0.0;
@ -726,11 +610,14 @@ namespace ABACUS {
if (j == k) {
sum_Kernel = 0.0;
for (int kp = N/2; kp < N; ++kp) if (j + N/2 != kp) sum_Kernel += Kernel (lambdaoc[j+N/2] - lambdaoc[kp]) + Kernel (lambdaoc[j+N/2] + lambdaoc[kp]);
for (int kp = N/2; kp < N; ++kp)
if (j + N/2 != kp)
sum_Kernel += Kernel (lambdaoc[j+N/2] - lambdaoc[kp]) + Kernel (lambdaoc[j+N/2] + lambdaoc[kp]);
Gaudin_Red[j][k] = cxL + sum_Kernel;
}
else Gaudin_Red[j][k] = - (Kernel (lambdaoc[j+ N/2] - lambdaoc[k+ N/2]) + Kernel (lambdaoc[j+ N/2] + lambdaoc[k+ N/2]) );
else Gaudin_Red[j][k] = - (Kernel (lambdaoc[j+ N/2] - lambdaoc[k+ N/2])
+ Kernel (lambdaoc[j+ N/2] + lambdaoc[k+ N/2]) );
}
@ -743,14 +630,12 @@ namespace ABACUS {
// This function changes the Ix2 of a given state by annihilating a particle and hole
// pair specified by ipart and ihole (counting from the left, starting with index 0).
//cout << "Annihilating ipart " << ipart << " and ihole " << ihole << " of state with label " << (*this).label << endl;
State_Label_Data currentdata = Read_State_Label ((*this).label, OriginStateIx2);
//cout << "current Ix2old " << currentdata.Ix2old[0] << endl;
//cout << "current Ix2exc " << currentdata.Ix2exc[0] << endl;
if (ipart >= currentdata.nexc[0]) ABACUSerror("Particle label too large in LiebLin_Bethe_State::Annihilate_ph_pair.");
if (ihole >= currentdata.nexc[0]) ABACUSerror("Hole label too large in LiebLin_Bethe_State::Annihilate_ph_pair.");
if (ipart >= currentdata.nexc[0])
ABACUSerror("Particle label too large in LiebLin_Bethe_State::Annihilate_ph_pair.");
if (ihole >= currentdata.nexc[0])
ABACUSerror("Hole label too large in LiebLin_Bethe_State::Annihilate_ph_pair.");
// Simply remove the given pair:
Vect<int> type_new = currentdata.type;
@ -770,14 +655,10 @@ namespace ABACUS {
Ix2exc_new[it][i] = currentdata.Ix2exc[it][i + (i >= ipart)];
}
}
//cout << "Ix2old_new " << Ix2old_new[0] << endl;
//cout << "Ix2exc_new " << Ix2exc_new[0] << endl;
State_Label_Data newdata (type_new, M_new, nexc_new, Ix2old_new, Ix2exc_new);
(*this).Set_to_Label (Return_State_Label(newdata, OriginStateIx2));
//cout << "Obtained label " << (*this).label << endl;
}
void LiebLin_Bethe_State::Parity_Flip ()

3
src/LIEBLIN/LiebLin_Chem_Pot.cc
View File

@ -24,14 +24,11 @@ namespace ABACUS {
// RefState is used here to provide the c_int, L and N parameters.
LiebLin_Bethe_State Nplus1State(RefState.c_int, RefState.L, RefState.N + 1);
//LiebLin_Bethe_State NState(RefState.c_int, RefState.L, RefState.N);
LiebLin_Bethe_State Nmin1State(RefState.c_int, RefState.L, RefState.N - 1);
Nplus1State.Compute_All(true);
//NState.Compute_All(true);
Nmin1State.Compute_All(true);
//return(NState.E - Nmin1State.E);
return(0.5 * (Nplus1State.E - Nmin1State.E));
}

56
src/LIEBLIN/LiebLin_Matrix_Element_Contrib.cc
View File

@ -19,10 +19,6 @@ using namespace ABACUS;
namespace ABACUS {
//DP Compute_Matrix_Element_Contrib (char whichDSF, bool fixed_iK, LiebLin_Bethe_State& LeftState,
// LiebLin_Bethe_State& RefState, DP Chem_Pot, fstream& DAT_outfile)
//DP Compute_Matrix_Element_Contrib (char whichDSF, int iKmin, int iKmax, LiebLin_Bethe_State& LeftState,
// LiebLin_Bethe_State& RefState, DP Chem_Pot, fstream& DAT_outfile)
DP Compute_Matrix_Element_Contrib (char whichDSF, int iKmin, int iKmax, LiebLin_Bethe_State& LeftState,
LiebLin_Bethe_State& RefState, DP Chem_Pot, stringstream& DAT_outfile)
{
@ -45,13 +41,12 @@ namespace ABACUS {
else if (whichDSF == 'g')
ME = real(exp(ln_Psi_ME (RefState, LeftState)));
else if (whichDSF == 'q') // geometrical quench
//ME_CX = (LiebLin_Twisted_ln_Overlap(1.0, RefState.lambdaoc, RefState.lnnorm, LeftState));
//ME_CX = (LiebLin_ln_Overlap(RefState.lambdaoc, RefState.lnnorm, LeftState));
ME_CX = LiebLin_ln_Overlap(LeftState.lambdaoc, LeftState.lnnorm, RefState);
else if (whichDSF == 'B') { // BEC to finite c quench: g2(x=0)
//ME_CX = exp(ln_Overlap_with_BEC (LeftState)); // overlap part
ME_CX = exp(ln_Overlap_with_BEC (LeftState) - ln_Overlap_with_BEC (RefState)); // overlap part, relative to saddle-point state
ME = real(exp(ln_g2_ME (RefState, LeftState))); // matrix element part
// overlap part, relative to saddle-point state
ME_CX = exp(ln_Overlap_with_BEC (LeftState) - ln_Overlap_with_BEC (RefState));
// matrix element part
ME = real(exp(ln_g2_ME (RefState, LeftState)));
// The product is ME_CX * ME = e^{-\delta S_e} \langle \rho_{sp} | g2 (x=0) | \rho_{sp} + e \rangle
// and is the first half of the t-dep expectation value formula coming from the Quench Action formalism
}
@ -71,7 +66,6 @@ namespace ABACUS {
if (whichDSF == 'Z') {
DAT_outfile << endl << LeftState.E - RefState.E - (LeftState.N - RefState.N) * Chem_Pot << "\t"
<< LeftState.iK - RefState.iK
//<< "\t" << LeftState.conv
<< 0 << "\t" // This is the deviation, here always 0
<< "\t" << LeftState.label;
}
@ -79,7 +73,6 @@ namespace ABACUS {
DAT_outfile << endl << LeftState.E - RefState.E - (LeftState.N - RefState.N) * Chem_Pot << "\t"
<< LeftState.iK - RefState.iK << "\t"
<< real(ME_CX) << "\t" << imag(ME_CX) - twoPI * int(imag(ME_CX)/twoPI + 1.0e-10) << "\t"
//<< LeftState.conv << "\t"
<< 0 << "\t" // This is the deviation, here always 0
<< LeftState.label;
}
@ -87,11 +80,9 @@ namespace ABACUS {
DAT_outfile << endl << LeftState.E - RefState.E - (LeftState.N - RefState.N) * Chem_Pot << "\t"
<< LeftState.iK - RefState.iK << "\t"
<< ME << "\t"
//<< LeftState.conv << "\t"
<< 0 << "\t" // This is the deviation, here always 0
<< LeftState.label;
DAT_outfile << "\t" << Momentum_Right_Excitations(LeftState) << "\t" << Momentum_Left_Excitations(LeftState);
//cout << Momentum_Right_Excitations(LeftState) << "\t" << Momentum_Left_Excitations(LeftState);
}
else if (whichDSF == 'B') { // BEC to finite c > 0 quench; g2 (x=0)
if (fabs(real(ME_CX) * ME) > 1.0e-100)
@ -99,7 +90,6 @@ namespace ABACUS {
<< LeftState.iK - RefState.iK << "\t"
<< real(ME_CX) << "\t" // the overlap is always real
<< ME << "\t"
//<< 0 << "\t" // This is the deviation, here always 0 // omit this here
<< LeftState.label;
}
else if (whichDSF == 'C') { // BEC to finite c, overlap sq
@ -108,14 +98,12 @@ namespace ABACUS {
<< LeftState.iK - RefState.iK << "\t"
<< real(ME_CX) << "\t" // the overlap is always real
<< ME << "\t"
//<< 0 << "\t" // This is the deviation, here always 0 // omit this here
<< LeftState.label;
}
else {
DAT_outfile << endl << LeftState.E - RefState.E - (LeftState.N - RefState.N) * Chem_Pot << "\t"
<< LeftState.iK - RefState.iK << "\t"
<< ME << "\t"
//<< LeftState.conv << "\t"
<< 0 << "\t" // This is the deviation, here always 0
<< LeftState.label;
}
@ -127,46 +115,18 @@ namespace ABACUS {
data_value = 1.0/(1.0 + LeftState.E - RefState.E - (LeftState.N - RefState.N) * Chem_Pot);
else if (whichDSF == 'd' || whichDSF == '1') {
if (fixed_iK)
/*
// use omega * MEsq/iK^2
//data_value = (LeftState.E - RefState.E - (LeftState.N - RefState.N) * Chem_Pot)
// MEsq/ABACUS::max(1, (LeftState.iK - RefState.iK) * (LeftState.iK - RefState.iK))
//: 0.0;
*/
// Careful: use fabs(E) since this must also work with Tgt0 or arbitrary RefState DEPRECATED ++G_1, USE abs_data_value
data_value = (LeftState.E - RefState.E - (LeftState.N - RefState.N) * Chem_Pot) * ME * ME;
else if (!fixed_iK) // use ME if momentum in fundamental window -iK_UL <= iK <= iK_UL
//data_value = abs(LeftState.iK - RefState.iK) <= RefState.Tableau[0].Ncols ? // this last nr is iK_UL
//MEsq : 0.0;
//data_value = (LeftState.iK - RefState.iK == 0 ? 1.0 : 2.0) * MEsq;
//data_value = ME * ME;
// use omega * MEsq/iK^2
// Careful: use fabs(E) since this must also work with Tgt0 or arbitrary RefState DEPRECATED ++G_1, USE abs_data_value
data_value = (LeftState.E - RefState.E - (LeftState.N - RefState.N) * Chem_Pot) * ME * ME/ABACUS::max(1, (LeftState.iK - RefState.iK) * (LeftState.iK - RefState.iK));
else if (!fixed_iK)
data_value = (LeftState.E - RefState.E - (LeftState.N - RefState.N) * Chem_Pot) * ME * ME
/ABACUS::max(1, (LeftState.iK - RefState.iK) * (LeftState.iK - RefState.iK));
}
else if (whichDSF == 'g' || whichDSF == 'o') {
if (fixed_iK)
/*
// use omega * MEsq/((k^2 - mu + 4 c N/L)/L)
data_value = (LeftState.E - RefState.E - (LeftState.N - RefState.N) * Chem_Pot)
* MEsq/((((LeftState.K - RefState.K) * (LeftState.K - RefState.K) - Chem_Pot) + 4.0 * RefState.c_int * RefState.N/RefState.L)/RefState.L)
: 0.0;
*/
// Careful: use fabs(E) since this must also work with Tgt0 or arbitrary RefState
data_value = (LeftState.E - RefState.E - (LeftState.N - RefState.N) * Chem_Pot) * ME * ME;
else if (!fixed_iK) { // simply use MEsq if momentum in fundamental window -iK_UL <= iK <= iK_UL
//data_value = abs(LeftState.iK - RefState.iK) <= RefState.Tableau[0].Ncols ? // this last nr is iK_UL
//MEsq : 0.0;
//data_value = (LeftState.iK - RefState.iK == 0 ? 1.0 : 2.0) * MEsq;
else if (!fixed_iK) {
data_value = ME * ME;
//data_value = fabs(LeftState.E - RefState.E - (LeftState.N - RefState.N) * Chem_Pot) * ME * ME;
// In the case of whichDSF == 'o', the state with label (N-1)_0_ gives zero data_value. Force to 1.
//if (whichDSF == 'o' && fabs(LeftState.E - RefState.E - (LeftState.N - RefState.N) * Chem_Pot) < 1.0e-10) data_value = 1.0;
}
}
//else if (whichDSF == 'o')
//data_value = abs(LeftState.iK - RefState.iK) <= RefState.Tableau[0].Ncols ? // this last nr is iK_UL
//MEsq : 0.0;
else if (whichDSF == 'q')
data_value = exp(2.0 * real(ME_CX));
else if (whichDSF == 'B')

666
src/LIEBLIN/LiebLin_State_Ensemble.cc
View File

@ -30,13 +30,6 @@ namespace ABACUS {
: nstates(nstates_req), state(Vect<LiebLin_Bethe_State>(RefState, nstates_req)), weight(1.0/nstates_req, nstates_req)
{
}
/*
LiebLin_Diagonal_State_Ensemble::LiebLin_Diagonal_State_Ensemble (const LiebLin_Bethe_State& RefState, int nstates_req, const Vect<DP>& weight_ref)
: nstates(nstates_req), state(Vect<LiebLin_Bethe_State>(RefState, nstates_req)), weight(weight_ref)
{
if (weight_ref.size() != nstates_req) ABACUSerror("Incompatible vector size in LiebLin_Diagonal_State_Ensemble constructor.");
}
*/
// Recursively go through all arbitrary-order type 2 descendents
void Generate_type_2_descendents (LiebLin_Bethe_State& ActualState, int* ndesc_ptr, const LiebLin_Bethe_State& OriginState)
@ -65,12 +58,11 @@ namespace ABACUS {
}
//LiebLin_Diagonal_State_Ensemble::LiebLin_Diagonal_State_Ensemble (DP c_int, DP L, int N, const Root_Density& rho, int nstates_req)
//: nstates(nstates_req)
LiebLin_Diagonal_State_Ensemble::LiebLin_Diagonal_State_Ensemble (DP c_int, DP L, int N, const Root_Density& rho)
{
// This function returns a state ensemble matching the continuous density rho.
// The logic closely resembles the one used in Discretized_LiebLin_Bethe_State.
//version with 4 states in ensemble
Root_Density x(rho.Npts, rho.lambdamax);
@ -81,8 +73,6 @@ namespace ABACUS {
x.value[ix] += 2.0 * rho.value[ip] * rho.dlambda[ip] * atan ((x.lambda[ix] - rho.lambda[ip])/c_int);
}
x.value[ix] /= 2.0*PI; //normalization
//cout << x.lambda[ix] << "\t" << x.value[ix] << "\t" << rho.lambda[ix] "\t" << rho.value[ix] <<endl;
}
// Now carry on as per Discretized_LiebLin_Bethe_State:
@ -111,7 +101,6 @@ namespace ABACUS {
for (int i = 0; i < rho.Npts; ++i) {
integral_prev = integral;
integral += L * rho.value[i] * rho.dlambda[i];
//cout << x.value[i] << "\t" << integral << endl;
if (integral > Nfound + 0.5) {
// Subtle error: if the rho is too discontinuous, i.e. if more than one rapidity is found, must correct for this.
if (integral > Nfound + 1.5 && integral < Nfound + 2.5) { // found two rapidities
@ -120,7 +109,6 @@ namespace ABACUS {
else {
// few variables to clarify the computations, they do not need to be vectors, not used outside this loop
//Ix2_found[Nfound] = 2.0 * L * (x.value[i] * (integral - Nfound - 0.5) + x.value[i-1] * (Nfound + 0.5 - integral_prev))/(integral - integral_prev);
Ix2_found[Nfound] = 2.0 * L * x.Return_Value(rho.lambda[i]);
Ix2_left = floor(Ix2_found[Nfound]);
@ -146,7 +134,9 @@ namespace ABACUS {
state[2].Ix2[Nfound] = Ix2_right;
state[3].Ix2[Nfound] = Ix2_right;
}
else { //it's a kind of magic: the zeroth goes in whle the first goes out, the second goes left if the third goes right
else {
//it's a kind of magic: the zeroth goes in whle the first goes out,
//the second goes left if the third goes right
state[0].Ix2[Nfound] = Ix2_in;
state[1].Ix2[Nfound] = Ix2_out;
state[2+change].Ix2[Nfound] = Ix2_left;
@ -157,9 +147,7 @@ namespace ABACUS {
Nfound++;
}
}
//cout << "\ti = " << i << "\tintegral = " << integral << "\tNfound = " << Nfound << endl;
}
//cout << endl;
//fix state[3] and state[4]
for(int i=0; i<N-1; ++i) {
@ -184,658 +172,25 @@ namespace ABACUS {
if(!all_Diff) {
//check if the first two states are different
if(state[0].Ix2 == state[1].Ix2)
ABACUSerror("Cannot create 4 (nor 2) different states in LiebLin_Diagonal_State_Ensemble. Consider increasing system size");
ABACUSerror("Cannot create 4 (nor 2) different states in LiebLin_Diagonal_State_Ensemble. "
"Consider increasing system size");
else {
nstates = 2;
weight[0] = 0.5;
weight[1] = 0.5;
}
}
//set the weights accordingly to the distance between the states.
// int n_moves_2 = 0, n_moves_3 = 0;
// for(int i=0; i < N; ++i) {
// if (!state[0].Ix2.is_in(state[2].Ix2[i])) ++n_moves_2;
// if (!state[0].Ix2.is_in(state[3].Ix2[i])) ++n_moves_3;
// }
//
// n_moves_2 = min(n_moves_2, n_moves - n_moves_2);
// n_moves_3 = min(n_moves_3, n_moves - n_moves_3);
//
// weight[2] *= 2.0*n_moves_2/n_moves;
// weight[3] *= 2.0*n_moves_3/n_moves;
//
// DP sum_weight = weight[0] + weight[1] + weight[2] + weight[3];
for(int i=0; i<nstates; ++i) {
//weight[i] /= sum_weight;
state[i].Set_Label_from_Ix2(state[0].Ix2);
state[i].Compute_All(true);
}
cout << weight[0] << "\t" << state[0].Ix2 << endl << weight[0] << "\t" << state[1].Ix2 << endl;// << state[2].Ix2 << endl << state[3].Ix2 << endl;
cout << weight[0] << "\t" << state[0].Ix2 << endl << weight[0] << "\t" << state[1].Ix2 << endl;
return;
//old working version but not enough to saturate +fsumrule
/*
Root_Density x = rho;
for(int ix=0; ix<x.Npts; ++ix) {
x.value[ix] = x.lambda[ix];
for( int ip=0; ip<rho.Npts; ++ip) {
x.value[ix] += 2.0 * rho.value[ip] * rho.dlambda[ip] * atan ((x.lambda[ix] - rho.lambda[ip])/c_int);
}
x.value[ix] /= 2.0*PI; //normalization
}
// Now carry on as per Discretized_LiebLin_Bethe_State:
// Each time N \int_{-\infty}^\lambda d\lambda' \rho(\lambda') crosses a half integer, add a particle:
DP integral = 0.0;
DP integral_prev = 0.0;
int Nfound = 0;
Vect<DP> Ix2_found(0.0, N);
int Ix2_left, Ix2_right;
Vect<int> Ix2(N);
Vect<int> Ix2_uncertain(0, N);
Vect<int> index_uncertain(0, N);
int n_uncertain = 0, n_states_raw = 1;
for (int i = 0; i < rho.Npts; ++i) {
integral_prev = integral;
integral += L * rho.value[i] * rho.dlambda[i];
//cout << x.value[i] << "\t" << integral << endl;
if (integral > Nfound + 0.5) {
// Subtle error: if the rho is too discontinuous, i.e. if more than one rapidity is found, must correct for this.
if (integral > Nfound + 1.5 && integral < Nfound + 2.5) { // found two rapidities
ABACUSerror("The distribution of particles is too discontinous for discretisation");
}
else {
// few variables to clarify the computations, they do not need to be vectors, not used outside this loop
Ix2_found[Nfound] = 2.0 * L * (x.value[i] * (integral - Nfound - 0.5) + x.value[i-1] * (Nfound + 0.5 - integral_prev))/(integral - integral_prev);
Ix2_left = floor(Ix2_found[Nfound]);
Ix2_left -= (Ix2_left + N + 1)%2 ? 1 : 0; //adjust parity
Ix2_right = ceil(Ix2_found[Nfound]);
Ix2_right += (Ix2_right + N + 1)%2 ? 1 : 0; //adjust parity
//cout << Ix2_found[Nfound] << "\t";
//choose the saddle point state and remember the uncertain choices
if(Ix2_found[Nfound] - Ix2_left < 1) {
Ix2[Nfound] = Ix2_left;
if(Ix2_found[Nfound] - Ix2_left > 0.75) {
Ix2_uncertain[n_uncertain] = -1;
index_uncertain[n_uncertain] = Nfound;
++n_uncertain;
n_states_raw *= 2;
}
}
else if (Ix2_right - Ix2_found[Nfound] < 1) {
Ix2[Nfound] = Ix2_right;
if(Ix2_right - Ix2_found[Nfound] > 0.75) {
Ix2_uncertain[n_uncertain] = 1;
index_uncertain[n_uncertain] = Nfound;
++n_uncertain;
n_states_raw *= 2;
}
}
else ABACUSerror("Cannot deduce a quantum number from x(lambda)");
Nfound++;
}
}
//cout << "\ti = " << i << "\tintegral = " << integral << "\tNfound = " << Nfound << endl;
}
//cout << endl;
//cout << Ix2 << endl;
// create ensamble of states and compute its weights with respect to exact Ix2 saddle point
Vect<Vect<int> > Ix2states(Ix2, n_states_raw);
Vect<DP> Ix2weight(0.0, n_states_raw);
// Ix2states[0] = Ix2;
// Ix2weight[0] = ;
int n_states_proper = 0;
for(int i=0; i < n_states_raw; ++i) {
//only symmetric modifications
for(int mod_index = 0; mod_index<n_uncertain; ++mod_index) {
if((i & (1 << mod_index)) >> mod_index != 0) {
Ix2states[n_states_proper][index_uncertain[mod_index]] += (-2)*Ix2_uncertain[mod_index];
////Ix2states[state_index][N - 1 - hole_position[mod_index]] += (2)*holes[hole_position[mod_index]];
}
}
//check if it's a proper set of quantum numbers
bool OK = true;
for(int j=0; j<N-1; ++j) if(Ix2states[n_states_proper][j] == Ix2states[n_states_proper][j+1]) OK = false;
if(OK) {
DP sum = 0;
for(int j=0; j<N; ++j) sum += abs(Ix2_found[j] - Ix2states[n_states_proper][j]);
Ix2weight[n_states_proper] = exp(-sum);
n_states_proper++;
}
else Ix2states[n_states_proper] = Ix2;
}
//sort the states in increasing weight order;
Vect<int> index(0, n_states_raw);
for (int nrs = 0; nrs < n_states_raw; ++nrs) index[nrs] = nrs;
Ix2weight.QuickSort(index);
//cut the number of states if above 21 <- arbitrary number for now
nstates = min(n_states_proper, 21);
cout << n_states_raw << "\t" << n_states_proper << "\t" << nstates << endl;
//create ensamble of states with normalised weights and ordered accordingly
LiebLin_Bethe_State rhostate(c_int, N, L);
rhostate.Ix2 = Ix2;
rhostate.Compute_All(true);
state = Vect<LiebLin_Bethe_State>(rhostate, nstates);
weight = Vect<DP>(nstates);
DP sum_weight = 0.0;
for(int i=0; i<nstates; ++i) {
state[i].Ix2 = Ix2states[index[n_states_raw - i - 1]];
state[i].Set_Label_from_Ix2 (state[0].Ix2);
weight[i] = Ix2weight[n_states_raw - i - 1];
sum_weight += weight[i];
}
//renormalise
for(int i=0; i<nstates; ++i) weight[i] /= sum_weight;
// for(int i=0; i<nstates; ++i) {
// cout << weight[i] << "\t" << state[i].Ix2 << endl;
// }
return;
*/
//cout << rho_t.value << endl;
// different attempts - to delete soon
// ABACUSerror("Stop here.");
/*
// This function returns a state ensemble matching the continuous density rho.
// The logic closely resembles the one used in Discretized_LiebLin_Bethe_State.
// Now carry on as per Discretized_LiebLin_Bethe_State:
// Each time N \int_{-\infty}^\lambda d\lambda' \rho(\lambda') crosses a half integer, add a particle:
DP integral = 0.0;
DP integral_prev = 0.0;
int Nfound = 0;
Vect<DP> lambda_found(0.0, 2*N);
for (int i = 0; i < rho.Npts; ++i) {
integral_prev = integral;
integral += L * rho.value[i] * rho.dlambda[i];
//cout << x.value[i] << "\t" << integral << endl;
if (integral > Nfound + 0.5) {
cout << L*x.value[i] << "\t" << integral << endl;
// Subtle error: if the rho is too discontinuous, i.e. if more than one rapidity is found, must correct for this.
if (integral > Nfound + 1.5 && integral < Nfound + 2.5) { // found two rapidities
lambda_found[Nfound++] = 0.25 * (3.0 * rho.lambda[i-1] + rho.lambda[i]);
lambda_found[Nfound++] = 0.25 * (rho.lambda[i-1] + 3.0 * rho.lambda[i]);
}
else {
//lambda_found[Nfound] = rho.lambda[i];
// Better: center the lambda_found between these points:
//lambda_found[Nfound] = rho.lambda[i-1] + (rho.lambda[i] - rho.lambda[i-1]) * ((Nfound + 1.0) - integral_prev)/(integral - integral_prev);
lambda_found[Nfound] = 0.5 * (rho.lambda[i-1] + rho.lambda[i]);
Nfound++;
}
}
//cout << "\ti = " << i << "\tintegral = " << integral << "\tNfound = " << Nfound << endl;
}
//cout << "rho: " << rho.Npts << " points" << endl << rho.value << endl;
//cout << "sym: " << rho.value[0] << " " << rho.value[rho.value.size() - 1]
// << "\t" << rho.value[rho.value.size()/2] << " " << rho.value[rho.value.size()/2 + 1] << endl;
//cout << "Found " << Nfound << " particles." << endl;
//cout << "lambda_found = " << lambda_found << endl;
Vect<DP> lambda(N);
// Fill up the found rapidities:
for (int il = 0; il < ABACUS::min(N, Nfound); ++il) lambda[il] = lambda_found[il];
// If there are missing ones, put them at the end; ideally, this should never be called
for (int il = Nfound; il < N; ++il) lambda[il] = lambda_found[Nfound-1] + (il - Nfound + 1) * (lambda_found[Nfound-1] - lambda_found[Nfound-2]);
//cout << lambda << endl;
*/
//try a different method
//first determine bins, that is intervals in lambda which contain a single rapidity
/*
Vect<int> lambda_bin(0.0, N+1);
integral = 0.0;
Nfound = 0;
lambda_bin[0] = 0;
lambda_bin[N] = rho.Npts-1;
for(int i=0; i<rho.Npts; ++i) {
integral += L * rho.value[i] * rho.dlambda[i];
if (integral > Nfound + 1.0) lambda_bin[++Nfound] = i - (rho.lambda[i]>0);
}
//put rapidity at the mean value of the distribution inside the bin
for(int ib=0; ib < N; ++ib) {
lambda_found[ib] = 0.0;
for(int i=lambda_bin[ib]; i<lambda_bin[ib+1]; ++i) lambda_found[ib] += L * rho.value[i] * rho.lambda[i] * rho.dlambda[i];
}
//cout << lambda_found << endl;
for(int i=0; i<N; ++i) cout << L*lambda[i]/PI << "\t" << L*lambda_found[i]/PI << endl;
ABACUSerror("Stop here.");
*/
/*
// Calculate quantum numbers: 2\pi * (L lambda + \sum_j 2 atan((lambda - lambda_j)/c)) = I_j
// Use rounding.
Vect<DP> Ix2_exact(N);
for (int i = 0; i < N; ++i) {
DP sum = 0.0;
for (int j = 0; j < N; ++j) sum += 2.0 * atan((lambda[i] - lambda[j])/c_int);
Ix2_exact[i] = (L * lambda[i] + sum)/PI;
Ix2_left[i] = floor(Ix2_exact[i]);
Ix2_left[i] -= (Ix2_left[i] + N + 1)%2 ? 1 : 0;
Ix2_right[i] = ceil(Ix2_exact[i]);
Ix2_right[i] += (Ix2_right[i] + N + 1)%2 ? 1 : 0;
//cout << Ix2_left[i] << "\t" << Ix2_exact[i] << "\t" << Ix2_right[i] << endl;
//Ix2[i] = 2.0* int((L * lambda[i] + sum)/twoPI) + (N % 2) - 1;
// For N is even/odd, we want to round off to the nearest odd/even integer.
//Ix2[i] = 2.0 * floor((L* lambda[i] + sum)/twoPI + 0.5 * (N%2 ? 1 : 2)) + (N%2) - 1;
}
//cout << "Found quantum numbers " << endl << Ix2 << endl;
*/
/*
//create the reference state and mark possible hole positions
Vect<int> Ix2(N);
Vect<float> holes(0.0, N);
for(int i=0; i < N; ++i) {
if(Ix2_found[i] - Ix2_left[i] < 1) {
Ix2[i] = Ix2_left[i];
if(Ix2_found[i] - Ix2_left[i] > 0.75) holes[i] = -1;
}
else {
Ix2[i] = Ix2_right[i];
if(Ix2_right[i] - Ix2_found[i] > 0.75) holes[i] = 1;
}
}
*/
// cout << endl << Ix2 << endl;
// cout << endl << holes << endl;
/*
//count number of possible states
int n = 0;
for(int i=0; i < N; ++i) {
if(holes[i] != 0) ++n;
}
int n_states_raw = 1;
*/
/* only symmetric modifications
for(int i=0; i<0.5*n; ++i) n_states_raw *= 2.0; //we count only symmetric modiications
Vect<Vect<int> > Ix2states(Ix2, n_states_raw);
Vect<int> hole_position(0, 0.5*n);
int hole_index = 0;
for(int i=N/2 + N%2; i<N; ++i) {
if(holes[i] != 0) hole_position[hole_index++] = i;
}
//create modifications, we use bit representation of integers between 0 and n_states-1 treating zero as no change and 1 as mutltiplication by -1
int state_index = 1;
for(int i=1; i < n_states_raw; ++i) {
//only symmetric modifications
for(int mod_index = 0; mod_index<0.5*n; ++mod_index) {
if((i & (1 << mod_index)) >> mod_index != 0) {
Ix2states[state_index][hole_position[mod_index]] += (-2)*holes[hole_position[mod_index]];
Ix2states[state_index][N - 1 - hole_position[mod_index]] += (2)*holes[hole_position[mod_index]];
}
}
//check if it's a proper set of quantum numbers
bool OK = true;
for(int j=0; j<N-1; ++j) if(Ix2states[state_index][j] == Ix2states[state_index][j+1]) OK = false;
if(OK) state_index++;
else Ix2states[state_index] = Ix2;
}
*/
/*
for(int i=0; i<n; ++i) n_states_raw *= 2.0; //we count all posibilities
Vect<Vect<int> > Ix2states(Ix2, n_states_raw);
Vect<int> hole_position(0, n);
int hole_index = 0;
for(int i=0; i<N; ++i) {
if(holes[i] != 0) hole_position[hole_index++] = i;
}
//create modifications, we use bit representation of integers between 0 and n_states-1 treating zero as no change and 1 as mutltiplication by -1
int state_index = 1;
for(int i=1; i < n_states_raw; ++i) {
//only symmetric modifications
for(int mod_index = 0; mod_index<n; ++mod_index) {
if((i & (1 << mod_index)) >> mod_index != 0) {
Ix2states[state_index][hole_position[mod_index]] += (-2)*holes[hole_position[mod_index]];
//Ix2states[state_index][N - 1 - hole_position[mod_index]] += (2)*holes[hole_position[mod_index]];
}
}
//check if it's a proper set of quantum numbers
bool OK = true;
for(int j=0; j<N-1; ++j) if(Ix2states[state_index][j] == Ix2states[state_index][j+1]) OK = false;
if(OK) state_index++;
else Ix2states[state_index] = Ix2;
}
*/
/*
n_states_raw = state_index;
// for(int i=0; i<n_states; ++i) cout << Ix2states[i] << endl;
LiebLin_Bethe_State rhostate(c_int, N, L);
rhostate.Ix2 = Ix2;
rhostate.Compute_All(true);
Vect<LiebLin_Bethe_State> state_raw = Vect<LiebLin_Bethe_State>(rhostate, n_states_raw);
Vect<DP> weight_raw(0.0, n_states_raw);
*/
/*
DP energy_rho = 0;
for (int i = 0; i < rho.Npts; ++i) {
energy_rho += L * rho.value[i] * rho.dlambda[i] * rho.lambda[i] * rho.lambda[i];
}
cout << energy_rho << endl;
DP energy_discrete = 0;
for (int i=0; i < N; ++i) {
energy_discrete += lambda[i] * lambda[i];
}
energy_discrete /= N;
cout << energy_discrete;
*/
/*
DP sum_weight_raw = 0.0;
for(int i=0; i<n_states_raw; ++i) {
//state_raw[i].Ix2 = Ix2states[i];
//state_raw[i].Set_Label_from_Ix2 (state_raw[0].Ix2);
//state_raw[i].Compute_All(true);
DP sum = 0;
for(int j=0; j<N; ++j) sum += fabs(Ix2states[i][j] - Ix2_found[j]);
weight_raw[i] = exp(sum)/L;
sum_weight_raw += weight_raw[i];
}
for(int i=0; i<n_states_raw; ++i) weight_raw[i] /= sum_weight_raw;
// Order the weights in decreasing value:
Vect<int> index(n_states_raw);
for (int nrs = 0; nrs < n_states_raw; ++nrs) index[nrs] = nrs;
weight_raw.QuickSort(index);
//nstates = 0;
//for(int i=0; i<n_states_raw; ++i) if (weight_raw[i] > 0.01) ++nstates;
nstates = ABACUS::min(n_states_raw, 21);
cout << nstates << endl;
state = Vect<LiebLin_Bethe_State>(rhostate, nstates);
weight = Vect<DP>(nstates);
DP sum_weight = 0.0;
for(int i=0; i<nstates; ++i) {
state[i].Ix2 = Ix2states[index[i]];
state[i].Set_Label_from_Ix2 (state[0].Ix2);
weight[i] = weight_raw[index[i]];
sum_weight += weight[i];
}
//renormalise
for(int i=0; i<nstates; ++i) weight[i] /= sum_weight;
for(int i=0; i<nstates; ++i) {
cout << weight[i] << "\t" << state[i].Ix2 << endl;
}
*/
//ABACUSerror("Stop here.");
// end of different attempts
/*
// Check that the quantum numbers are all distinct:
bool allOK = false;
while (!allOK) {
for (int i = 0; i < N-1; ++i) if (Ix2[i] == Ix2[i+1] && Ix2[i] < 0) Ix2[i] -= 2;
for (int i = 1; i < N; ++i) if (Ix2[i] == Ix2[i-1] && Ix2[i] > 0) Ix2[i] += 2;
allOK = true;
for (int i = 0; i < N-1; ++i) if (Ix2[i] == Ix2[i+1]) allOK = false;
}
//cout << "Found modified quantum numbers " << endl << Ix2 << endl;
LiebLin_Bethe_State rhostate(c_int, N, L);
rhostate.Ix2 = Ix2;
rhostate.Compute_All(true);
//cout << "rapidities of state found: " << rhostate.lambda << endl;
// Until here, the code is identical to that in Discretized_LiebLin_Bethe_State.
// Construct states in the vicinity by going through type 2 descendents recursively:
int ndesc_type2 = 0;
int* ndesc_type2_ptr = &ndesc_type2;
Generate_type_2_descendents (rhostate, ndesc_type2_ptr, rhostate);
cout << "Found " << ndesc_type2 << " descendents for state " << rhostate << endl;
//ABACUSerror("Stop here...");
// Now try to construct states in the vicinity.
int nrstates1mod = 1;
for (int i = 0; i < N; ++i) {
if (i == 0 || Ix2[i-1] < Ix2[i] - 2) nrstates1mod++;
if (i == N-1 || Ix2[i+1] > Ix2[i] + 2) nrstates1mod++;
}
//if (nrstates1mod < nstates_req) ABACUSerror("nrstates1mod < nstates_req in LiebLin_Diagonal_State_Ensemble.");
nstates = nrstates1mod;
Vect<Vect<int> > Ix2states1mod(nrstates1mod);
for (int nrs = 0; nrs < nrstates1mod; ++nrs) Ix2states1mod[nrs] = Vect<int> (N);
int nfound = 0;
Ix2states1mod[nfound++] = Ix2; // this is the sp state
for (int i = 0; i < N; ++i) {
if (i == 0 || Ix2[i-1] < Ix2[i] - 2) {
Ix2states1mod[nfound] = Ix2;
Ix2states1mod[nfound++][i] -= 2;
}
if (i == N-1 || Ix2[i+1] > Ix2[i] + 2) {
Ix2states1mod[nfound] = Ix2;
Ix2states1mod[nfound++][i] += 2;
}
}
// Evaluate the weight of all found states:
Vect<DP> rawweight(nrstates1mod);
for (int nrs = 0; nrs < nrstates1mod; ++nrs) {
DP sumweight = 0.0;
for (int i = 0; i < N; ++i) sumweight += fabs(Ix2states1mod[nrs][i] - Ix2_exact[i]);
rawweight[nrs] = exp(-sumweight/log(L));
}
// Order the weights in decreasing value:
Vect<int> index(nrstates1mod);
for (int nrs = 0; nrs < nrstates1mod; ++nrs) index[nrs] = nrs;
rawweight.QuickSort(index);
// Calculate weight normalization:
DP weightnorm = 0.0;
//for (int ns = 0; ns < nstates_req; ++ns) weightnorm += rawweight[nrstates1mod - 1 - ns];
for (int ns = 0; ns < nstates; ++ns) weightnorm += rawweight[nrstates1mod - 1 - ns];
state = Vect<LiebLin_Bethe_State>(rhostate, nstates);
weight = Vect<DP> (nstates);
for (int ns = 0; ns < nstates; ++ns) {
weight[ns] = rawweight[nrstates1mod - 1 - ns]/weightnorm;
state[ns].Ix2 = Ix2states1mod[index[nrstates1mod - 1 - ns] ];
state[ns].Set_Label_from_Ix2 (rhostate.Ix2);
state[ns].Compute_All(true);
}
*/
}
/*
LiebLin_Diagonal_State_Ensemble::LiebLin_Diagonal_State_Ensemble (DP c_int, DP L, int N, const Root_Density& rho, int nstates_req)
: nstates(nstates_req)
{
// This function returns a state ensemble matching the continuous density rho.
// The logic closely resembles the one used in Discretized_LiebLin_Bethe_State.
// Each `exact' (from rho) quantum number is matched to its two possible values,
// assigning a probability to each according to the proximity of the quantum number values.
// The set is then ordered in energy, and split into nstates_req boxes from which one
// representative is selected, and given the probability = sum of probabilities in the box.
// Begin as per Discretized_LiebLin_Bethe_State, to find the saddle-point state.
// Each time N \int_{-\infty}^\lambda d\lambda' \rho(\lambda') crosses a half integer, add a particle:
DP integral = 0.0;
DP integral_prev = 0.0;
int Nfound = 0;
Vect<DP> lambda_found(0.0, 2*N);
for (int i = 0; i < rho.Npts; ++i) {
integral_prev = integral;
integral += L * rho.value[i] * rho.dlambda[i];
if (integral > Nfound + 0.5) {
// Subtle error: if the rho is too discontinuous, i.e. if more than one rapidity is found, must correct for this.
if (integral > Nfound + 1.5 && integral < Nfound + 2.5) { // found two rapidities
lambda_found[Nfound++] = 0.25 * (3.0 * rho.lambda[i-1] + rho.lambda[i]);
lambda_found[Nfound++] = 0.25 * (rho.lambda[i-1] + 3.0 * rho.lambda[i]);
}
else {
//lambda_found[Nfound] = rho.lambda[i];
// Better: center the lambda_found between these points:
//lambda_found[Nfound] = rho.lambda[i-1] + (rho.lambda[i] - rho.lambda[i-1]) * ((Nfound + 1.0) - integral_prev)/(integral - integral_prev);
lambda_found[Nfound] = 0.5 * (rho.lambda[i-1] + rho.lambda[i]);
Nfound++;
}
}
//cout << "\ti = " << i << "\tintegral = " << integral << "\tNfound = " << Nfound << endl;
}
//cout << "rho: " << rho.Npts << " points" << endl << rho.value << endl;
//cout << "sym: " << rho.value[0] << " " << rho.value[rho.value.size() - 1]
// << "\t" << rho.value[rho.value.size()/2] << " " << rho.value[rho.value.size()/2 + 1] << endl;
//cout << "Found " << Nfound << " particles." << endl;
//cout << "lambda_found = " << lambda_found << endl;
Vect<DP> lambda(N);
// Fill up the found rapidities:
for (int il = 0; il < ABACUS::min(N, Nfound); ++il) lambda[il] = lambda_found[il];
// If there are missing ones, put them at the end; ideally, this should never be called
for (int il = Nfound; il < N; ++il) lambda[il] = lambda_found[Nfound-1] + (il - Nfound + 1) * (lambda_found[Nfound-1] - lambda_found[Nfound-2]);
// Calculate quantum numbers: 2\pi * (L lambda + \sum_j 2 atan((lambda - lambda_j)/c)) = I_j
// Use rounding.
Vect<DP> Ix2_exact(N);
Vect<int> Ix2(N);
for (int i = 0; i < N; ++i) {
DP sum = 0.0;
for (int j = 0; j < N; ++j) sum += 2.0 * atan((lambda[i] - lambda[j])/c_int);
Ix2_exact[i] = (L * lambda[i] + sum)/PI;
//Ix2[i] = 2.0* int((L * lambda[i] + sum)/twoPI) + (N % 2) - 1;
// For N is even/odd, we want to round off to the nearest odd/even integer.
Ix2[i] = 2.0 * floor((L* lambda[i] + sum)/twoPI + 0.5 * (N%2 ? 1 : 2)) + (N%2) - 1;
}
//cout << "Found quantum numbers " << endl << Ix2 << endl;
// Check that the quantum numbers are all distinct:
bool allOK = false;
while (!allOK) {
for (int i = 0; i < N-1; ++i) if (Ix2[i] == Ix2[i+1] && Ix2[i] < 0) Ix2[i] -= 2;
for (int i = 1; i < N; ++i) if (Ix2[i] == Ix2[i-1] && Ix2[i] > 0) Ix2[i] += 2;
allOK = true;
for (int i = 0; i < N-1; ++i) if (Ix2[i] == Ix2[i+1]) allOK = false;
}
//cout << "Found modified quantum numbers " << endl << Ix2 << endl;
LiebLin_Bethe_State rhostate(c_int, N, L);
rhostate.Ix2 = Ix2;
rhostate.Compute_All(true);
//cout << "rapidities of state found: " << rhostate.lambda << endl;
// Until here, the code is identical to that in Discretized_LiebLin_Bethe_State.
// Now try to construct states in the vicinity.
int nrstates1mod = 1;
for (int i = 0; i < N; ++i) {
if (i == 0 || Ix2[i-1] < Ix2[i] - 2) nrstates1mod++;
if (i == N-1 || Ix2[i+1] > Ix2[i] + 2) nrstates1mod++;
}
if (nrstates1mod < nstates_req) ABACUSerror("nrstates1mod < nstates_req in LiebLin_Diagonal_State_Ensemble.");
Vect<Vect<int> > Ix2states1mod(nrstates1mod);
for (int nrs = 0; nrs < nrstates1mod; ++nrs) Ix2states1mod[nrs] = Vect<int> (N);
int nfound = 0;
Ix2states1mod[nfound++] = Ix2; // this is the sp state
for (int i = 0; i < N; ++i) {
if (i == 0 || Ix2[i-1] < Ix2[i] - 2) {
Ix2states1mod[nfound] = Ix2;
Ix2states1mod[nfound++][i] -= 2;
}
if (i == N-1 || Ix2[i+1] > Ix2[i] + 2) {
Ix2states1mod[nfound] = Ix2;
Ix2states1mod[nfound++][i] += 2;
}
}
// Evaluate the weight of all found states:
Vect<DP> rawweight(nrstates1mod);
for (int nrs = 0; nrs < nrstates1mod; ++nrs) {
DP sumweight = 0.0;
for (int i = 0; i < N; ++i) sumweight += fabs(Ix2states1mod[nrs][i] - Ix2_exact[i]);
rawweight[nrs] = exp(-sumweight/log(L));
}
// Order the weights in decreasing value:
Vect<int> index(nrstates1mod);
for (int nrs = 0; nrs < nrstates1mod; ++nrs) index[nrs] = nrs;
rawweight.QuickSort(index);
// Calculate weight normalization:
DP weightnorm = 0.0;
for (int ns = 0; ns < nstates_req; ++ns) weightnorm += rawweight[nrstates1mod - 1 - ns];
state = Vect<LiebLin_Bethe_State>(rhostate, nstates_req);
weight = Vect<DP> (nstates_req);
for (int ns = 0; ns < nstates_req; ++ns) {
weight[ns] = rawweight[nrstates1mod - 1 - ns]/weightnorm;
state[ns].Ix2 = Ix2states1mod[index[nrstates1mod - 1 - ns] ];
state[ns].Set_Label_from_Ix2 (rhostate.Ix2);
state[ns].Compute_All(true);
}
}
*/
LiebLin_Diagonal_State_Ensemble& LiebLin_Diagonal_State_Ensemble::operator= (const LiebLin_Diagonal_State_Ensemble& rhs)
{
@ -858,7 +213,6 @@ namespace ABACUS {
while (getline(infile, dummy)) ++nrlines;
infile.close();
//cout << "Found " << nrlines << " lines in ens file." << endl;
nstates = nrlines;
LiebLin_Bethe_State examplestate (c_int, L, N);
state = Vect<LiebLin_Bethe_State> (examplestate, nstates);
@ -893,7 +247,6 @@ namespace ABACUS {
}
//LiebLin_Diagonal_State_Ensemble LiebLin_Thermal_Saddle_Point_Ensemble (DP c_int, DP L, int N, DP kBT, int nstates_req)
LiebLin_Diagonal_State_Ensemble LiebLin_Thermal_Saddle_Point_Ensemble (DP c_int, DP L, int N, DP kBT)
{
// This function constructs a manifold of states around the thermal saddle-point.
@ -915,7 +268,6 @@ namespace ABACUS {
cout << "ebar: " << TBAsol.ebar << endl;
cout << ensemble.state[0].E << endl;
//return(LiebLin_Diagonal_State_Ensemble (c_int, L, N, TBAsol.rho, nstates_req));
return(ensemble);
}

92
src/LIEBLIN/LiebLin_Sumrules.cc
View File

@ -20,12 +20,10 @@ using namespace ABACUS;
namespace ABACUS {
//DP Sumrule_Factor (char whichDSF, LiebLin_Bethe_State& RefState, DP Chem_Pot, bool fixed_iK, int iKneeded)
DP Sumrule_Factor (char whichDSF, LiebLin_Bethe_State& RefState, DP Chem_Pot, int iKmin, int iKmax)
{
DP sumrule_factor = 1.0;
//if (!fixed_iK) {
if (iKmin != iKmax) {
if (whichDSF == 'Z') sumrule_factor = 1.0;
else if (whichDSF == 'd' || whichDSF == '1') {
@ -33,28 +31,15 @@ namespace ABACUS {
// Here, we use a measure decreasing in K with K^2.
// We sum up omega * MEsq/(iK^2) for all values of iKmin <= iK <= iKmax, discounting iK == 0 (where DSF vanishes)
// We therefore have (N/L) x L^{-1} x (2\pi/L)^2 x (iKmax - iKmin + 1) = 4 \pi^2 x N x (iKmax - iKmin + 1)/L^4
// Discounting iK == 0 (where DSF vanishes), if iKmin <= 0 && iKmax >= 0 (in which case 0 is containted in [iKmin, iKmax])
// Discounting iK == 0 (where DSF vanishes),
// if iKmin <= 0 && iKmax >= 0 (in which case 0 is containted in [iKmin, iKmax])
sumrule_factor = (iKmin <= 0 && iKmax >= 0) ?
(RefState.L * RefState.L * RefState.L * RefState.L)/(4.0 * PI * PI * RefState.N * (iKmax - iKmin))
: (RefState.L * RefState.L * RefState.L * RefState.L)/(4.0 * PI * PI * RefState.N * (iKmax - iKmin + 1));
/*
// Measure using the g2(0) + delta function: // DOES NOT WORK VERY WELL
DP dE0_dc = LiebLin_dE0_dc (RefState.c_int, RefState.L, RefState.N);
//sumrule_factor = 1.0/((dE0_dc + (2.0 * RefState.Tableau[0].Ncols + 1.0)*RefState.N/RefState.L)/RefState.L);
// Assume that iKmin == 0 here:
//sumrule_factor = 1.0/((dE0_dc + (2*iKmax + 1)*RefState.N/RefState.L)/RefState.L);
// For iKmin != 0:
sumrule_factor = 1.0/((dE0_dc + (iKmax - iKmin + 1)*RefState.N/RefState.L)/RefState.L);
*/
}
// For the Green's function, it's the delta function \delta(x = 0) plus the density:
//else if (whichDSF == 'g') sumrule_factor = 1.0/((2.0 * RefState.Tableau[0].Ncols + 1.0)/RefState.L + RefState.N/RefState.L);
// Assume that iKmin == 0 here:
//else if (whichDSF == 'g') sumrule_factor = 1.0/(2.0* iKmax + 1.0)/RefState.L + RefState.N/RefState.L);
else if (whichDSF == 'g')
sumrule_factor = 1.0/((abs(iKmax - iKmin) + 1.0)/RefState.L + RefState.N/RefState.L);
//sumrule_factor = 1.0/((pow(twoPI * iKmax/RefState.L, 2.0) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L)/RefState.L);
// For the one-body function, it's just the density:
else if (whichDSF == 'o') sumrule_factor = RefState.L/RefState.N;
else if (whichDSF == 'q') sumrule_factor = 1.0;
@ -63,21 +48,16 @@ namespace ABACUS {
else ABACUSerror("whichDSF option not consistent in Sumrule_Factor");
}
//else if (fixed_iK) {
else if (iKmin == iKmax) {
if (whichDSF == 'Z') sumrule_factor = 1.0;
else if (whichDSF == 'd' || whichDSF == '1')
//// We sum up omega * MEsq/(iK^2): this should give (1/L) x (N/L) x k^2 = N x (2\pi)^2/L^4
//sumrule_factor = pow(RefState.L, 4.0)/(4.0 * PI * PI * RefState.N);
// We sum up omega * MEsq
//sumrule_factor = pow(RefState.L, 4.0)/(4.0 * PI * PI * iKneeded * iKneeded * RefState.N);
sumrule_factor = pow(RefState.L, 4.0)/(4.0 * PI * PI * iKmax * iKmax * RefState.N);
else if (whichDSF == 'g' || whichDSF == 'o') {
// We sum up omega * MEsq
//sumrule_factor = 1.0/((pow(twoPI * iKneeded/RefState.L, 2.0) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L)/RefState.L);
sumrule_factor = 1.0/((pow(twoPI * iKmax/RefState.L, 2.0) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L)/RefState.L);
sumrule_factor = 1.0/((pow(twoPI * iKmax/RefState.L, 2.0) - Chem_Pot
+ 4.0 * RefState.c_int * RefState.N/RefState.L)/RefState.L);
}
//else if (whichDSF == 'o') sumrule_factor = RefState.L/RefState.N;
else if (whichDSF == 'q') sumrule_factor = 1.0;
else if (whichDSF == 'B') sumrule_factor = 1.0;
else if (whichDSF == 'C') sumrule_factor = 1.0;
@ -87,7 +67,8 @@ namespace ABACUS {
return(sumrule_factor);
}
void Evaluate_F_Sumrule (char whichDSF, const LiebLin_Bethe_State& RefState, DP Chem_Pot, int iKmin, int iKmax, const char* RAW_Cstr, const char* FSR_Cstr)
void Evaluate_F_Sumrule (char whichDSF, const LiebLin_Bethe_State& RefState, DP Chem_Pot,
int iKmin, int iKmax, const char* RAW_Cstr, const char* FSR_Cstr)
{
ifstream infile;
@ -98,8 +79,6 @@ namespace ABACUS {
}
// We run through the data file to check the f sumrule at each positive momenta:
//int iK_UL = RefState.Tableau[0].Ncols; // this is iK_UL
//Vect<DP> Sum_omega_MEsq(0.0, iK_UL + 1);
Vect_DP Sum_omega_MEsq (0.0, iKmax - iKmin + 1);
Vect_DP Sum_abs_omega_MEsq (0.0, iKmax - iKmin + 1);
@ -107,7 +86,6 @@ namespace ABACUS {
DP omega, ME;
int iK;
//int conv;
DP dev;
string label;
int nr, nl;
@ -118,7 +96,6 @@ namespace ABACUS {
nraw++;
infile >> omega >> iK >> ME >> dev >> label;
if (whichDSF == '1') infile >> nr >> nl;
//if (iK > 0 && iK <= iK_UL) Sum_omega_MEsq[iK] += omega * MEsq;
if (iK >= iKmin && iK <= iKmax) Sum_omega_MEsq[iK - iKmin] += omega * ME * ME;
if (iK >= iKmin && iK <= iKmax) Sum_abs_omega_MEsq[iK - iKmin] += fabs(omega * ME * ME);
Sum_MEsq += ME * ME;
@ -126,25 +103,18 @@ namespace ABACUS {
infile.close();
//cout << "Read " << nraw << " entries in raw file." << endl;
ofstream outfile;
outfile.open(FSR_Cstr);
outfile.precision(16);
if (whichDSF == 'd' || whichDSF == '1') {
/*
outfile << 0 << "\t" << 1; // full saturation at k = 0 !
for (int i = 1; i <= iK_UL; ++i)
outfile << endl << i << "\t" << Sum_omega_MEsq[i] * RefState.L * RefState.L
* RefState.L * RefState.L/(4.0 * PI * PI * i * i * RefState.N);
*/
for (int i = iKmin; i <= iKmax; ++i) {
if (i > iKmin) outfile << endl;
//outfile << i << "\t" << Sum_omega_MEsq[i - iKmin] * pow(RefState.L, 4.0)/(pow(2.0 * PI * ABACUS::max(abs(i), 1), 2.0) * RefState.N);
outfile << i << "\t" << Sum_omega_MEsq[i - iKmin] * pow(RefState.L, 4.0)/(pow(2.0 * PI * ABACUS::max(abs(i), 1), 2.0) * RefState.N)
outfile << i << "\t" << Sum_omega_MEsq[i - iKmin] * pow(RefState.L, 4.0)
/(pow(2.0 * PI * ABACUS::max(abs(i), 1), 2.0) * RefState.N)
// Include average of result at +iK and -iK in a third column: iK is at index index(iK) = iK - iKmin
// so -iK is at index index(-iK) = -iK - iKmin
// We can only use this index if it is >= 0 and < iKmax - iKmin + 1, otherwise third column is copy of second:
@ -155,16 +125,8 @@ namespace ABACUS {
}
}
else if (whichDSF == 'g' || whichDSF == 'o') {
/*
for (int i = 0; i <= iK_UL; ++i)
outfile << endl << i << "\t" << Sum_omega_MEsq[i] * RefState.L
/((4.0 * PI * PI * i * i)/(RefState.L * RefState.L) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L);
//cout << "Sum_MEsq = " << Sum_MEsq << "\tN/L = " << RefState.N/RefState.L << endl;
*/
for (int i = iKmin; i <= iKmax; ++i) {
if (i > iKmin) outfile << endl;
//outfile << i << "\t" << Sum_omega_MEsq[i - iKmin] * RefState.L
///((4.0 * PI * PI * i * i)/(RefState.L * RefState.L) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L);
outfile << i << "\t" << Sum_omega_MEsq[i - iKmin] * RefState.L
/((4.0 * PI * PI * i * i)/(RefState.L * RefState.L) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L)
<< "\t" << ((i + iKmin <= 0 && -i < iKmax + 1) ?
@ -177,7 +139,8 @@ namespace ABACUS {
}
void Evaluate_F_Sumrule (string prefix, char whichDSF, const LiebLin_Bethe_State& RefState, DP Chem_Pot, int iKmin, int iKmax)
void Evaluate_F_Sumrule (string prefix, char whichDSF, const LiebLin_Bethe_State& RefState,
DP Chem_Pot, int iKmin, int iKmax)
{
stringstream RAW_stringstream; string RAW_string;
@ -193,7 +156,8 @@ namespace ABACUS {
}
// Using diagonal state ensemble:
void Evaluate_F_Sumrule (char whichDSF, DP c_int, DP L, int N, DP kBT, int nstates_req, DP Chem_Pot, int iKmin, int iKmax, const char* FSR_Cstr)
void Evaluate_F_Sumrule (char whichDSF, DP c_int, DP L, int N, DP kBT, int nstates_req,
DP Chem_Pot, int iKmin, int iKmax, const char* FSR_Cstr)
{
// We run through the data file to check the f sumrule at each positive momenta:
@ -203,7 +167,6 @@ namespace ABACUS {
DP omega, ME;
int iK;
//int conv;
DP dev;
string label;
int nr, nl;
@ -212,7 +175,6 @@ namespace ABACUS {
LiebLin_Diagonal_State_Ensemble ensemble;
stringstream ensfilestrstream;
//ensfilestrstream << "LiebLin_c_int_" << c_int << "_L_" << L << "_N_" << N << "_kBT_" << kBT << "_ns_" << nstates_req << ".ens";
ensfilestrstream << "LiebLin_c_int_" << c_int << "_L_" << L << "_N_" << N << "_kBT_" << kBT << ".ens";
string ensfilestr = ensfilestrstream.str();
const char* ensfile_Cstr = ensfilestr.c_str();
@ -223,8 +185,8 @@ namespace ABACUS {
// Define the raw input file name:
stringstream filenameprefix;
//Data_File_Name (filenameprefix, whichDSF, iKmin, iKmax, kBT, ensemble.state[ns], ensemble.state[ns], ensemble.state[ns].label);
Data_File_Name (filenameprefix, whichDSF, iKmin, iKmax, 0.0, ensemble.state[ns], ensemble.state[ns], ensemble.state[ns].label);
Data_File_Name (filenameprefix, whichDSF, iKmin, iKmax, 0.0, ensemble.state[ns],
ensemble.state[ns], ensemble.state[ns].label);
string prefix = filenameprefix.str();
stringstream RAW_stringstream; string RAW_string;
RAW_stringstream << prefix << ".raw";
@ -240,7 +202,6 @@ namespace ABACUS {
while (infile.peek() != EOF) {
infile >> omega >> iK >> ME >> dev >> label;
if (whichDSF == '1') infile >> nr >> nl;
//if (iK > 0 && iK <= iK_UL) Sum_omega_MEsq[iK] += omega * MEsq;
if (iK >= iKmin && iK <= iKmax) Sum_omega_MEsq[iK - iKmin] += ensemble.weight[ns] * omega * ME * ME;
Sum_MEsq += ensemble.weight[ns] * ME * ME;
}
@ -255,16 +216,10 @@ namespace ABACUS {
outfile.precision(16);
if (whichDSF == 'd' || whichDSF == '1') {
/*
outfile << 0 << "\t" << 1; // full saturation at k = 0 !
for (int i = 1; i <= iK_UL; ++i)
outfile << endl << i << "\t" << Sum_omega_MEsq[i] * RefState.L * RefState.L
* RefState.L * RefState.L/(4.0 * PI * PI * i * i * RefState.N);
*/
for (int i = iKmin; i <= iKmax; ++i) {
if (i > iKmin) outfile << endl;
//outfile << i << "\t" << Sum_omega_MEsq[i - iKmin] * pow(RefState.L, 4.0)/(pow(2.0 * PI * ABACUS::max(abs(i), 1), 2.0) * RefState.N);
outfile << i << "\t" << Sum_omega_MEsq[i - iKmin] * pow(RefState.L, 4.0)/(pow(2.0 * PI * ABACUS::max(abs(i), 1), 2.0) * RefState.N)
outfile << i << "\t" << Sum_omega_MEsq[i - iKmin] * pow(RefState.L, 4.0)
/(pow(2.0 * PI * ABACUS::max(abs(i), 1), 2.0) * RefState.N)
// Include average of result at +iK and -iK in a third column: iK is at index index(iK) = iK - iKmin
// so -iK is at index index(-iK) = -iK - iKmin
// We can only use this index if it is >= 0 and < iKmax - iKmin + 1, otherwise third column is copy of second:
@ -275,21 +230,14 @@ namespace ABACUS {
}
}
else if (whichDSF == 'g' || whichDSF == 'o') {
/*
for (int i = 0; i <= iK_UL; ++i)
outfile << endl << i << "\t" << Sum_omega_MEsq[i] * RefState.L
/((4.0 * PI * PI * i * i)/(RefState.L * RefState.L) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L);
//cout << "Sum_MEsq = " << Sum_MEsq << "\tN/L = " << RefState.N/RefState.L << endl;
*/
for (int i = iKmin; i <= iKmax; ++i) {
if (i > iKmin) outfile << endl;
//outfile << i << "\t" << Sum_omega_MEsq[i - iKmin] * RefState.L
///((4.0 * PI * PI * i * i)/(RefState.L * RefState.L) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L);
outfile << i << "\t" << Sum_omega_MEsq[i - iKmin] * RefState.L
/((4.0 * PI * PI * i * i)/(RefState.L * RefState.L) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L)
<< "\t" << ((i + iKmin <= 0 && -i < iKmax + 1) ?
0.5 * (Sum_omega_MEsq[i - iKmin] + Sum_omega_MEsq[-i - iKmin]) : Sum_omega_MEsq[i - iKmin])
* RefState.L/((4.0 * PI * PI * i * i)/(RefState.L * RefState.L) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L);
0.5 * (Sum_omega_MEsq[i - iKmin] + Sum_omega_MEsq[-i - iKmin])
: Sum_omega_MEsq[i - iKmin]) * RefState.L
/((4.0 * PI * PI * i * i)/(RefState.L * RefState.L) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L);
}
}

392
src/LIEBLIN/LiebLin_Tgt0.cc
View File

@ -20,116 +20,6 @@ using namespace ABACUS;
namespace ABACUS {
/*
DP Entropy (LiebLin_Bethe_State& RefState, DP epsilon)
{
// This function calculates the entropy of a finite Lieb-Liniger state,
// using the quantum number space particle and hole densities.
// The densities are a sum of Gaussians with width epsilon.
// We calculate \rho (x) and \rho_h (x) for x_j on a fine lattice.
int Ix2max = RefState.Ix2.max();
int Ix2min = RefState.Ix2.min();
//cout << Ix2max << "\t" << Ix2min << endl;
// Give a bit of room for leftmost and rightmost particles Gaussians to attain asymptotic values:
Ix2max += int(10.0 * RefState.L * epsilon);
Ix2min -= int(10.0 * RefState.L * epsilon);
//cout << Ix2max << "\t" << Ix2min << endl;
DP xmax = Ix2max/(2.0* RefState.L);
DP xmin = Ix2min/(2.0* RefState.L);
//xmax += 10.0* epsilon;
//xmin -= 10.0* epsilon;
DP dx = 0.1/RefState.L;
int Nptsx = int((xmax - xmin)/dx);
Vect<bool> occupied (false, (Ix2max - Ix2min)/2 + 1); // whether there is a particle or not
for (int i = 0; i < RefState.N; ++i) occupied[(RefState.Ix2[i] - Ix2min)/2] = true;
Vect<double> rho(0.0, Nptsx);
Vect<double> rhoh(0.0, Nptsx);
//cout << xmin << "\t" << xmax << "\t" << dx << "\t" << Nptsx << endl;
DP x;
DP epsilonsq = epsilon * epsilon;
DP twoepsilonsq = 2.0 * epsilon * epsilon;
//Vect<DP> xparticle(RefState.N);
//for (int i = 0; i < RefState.N; ++i) xparticle[i] = RefState.Ix2[i]/(2.0* RefState.L);
Vect<DP> xarray((Ix2max - Ix2min)/2 + 1);
for (int i = 0; i < (Ix2max - Ix2min)/2 + 1; ++i) xarray[i] = (0.5*Ix2min + i)/RefState.L;
for (int ix = 0; ix < Nptsx; ++ix) {
x = xmin + dx * (ix + 0.5);
//for (int i = 0; i < RefState.N; ++i) rho[ix] += 1.0/((x - xparticle[i]) * (x - xparticle[i]) + epsilonsq);
//rho[ix] *= epsilon/(PI * RefState.L);
for (int i = 0; i < (Ix2max - Ix2min)/2 + 1; ++i) {
// Using Gaussians:
//if (occupied[i]) rho[ix] += exp(-(x - xarray[i]) * (x - xarray[i])/twoepsilonsq);
//else rhoh[ix] += exp(-(x - xarray[i]) * (x - xarray[i])/twoepsilonsq);
// Using Lorentzians:
if (occupied[i]) rho[ix] += 1.0/((x - xarray[i]) * (x - xarray[i]) + epsilonsq);
else rhoh[ix] += 1.0/((x - xarray[i]) * (x - xarray[i]) + epsilonsq);
}
//rho[ix] /= sqrt(twoPI) * epsilon * RefState.L;
//rhoh[ix] /= sqrt(twoPI) * epsilon * RefState.L;
rho[ix] *= epsilon/(PI * RefState.L);
rhoh[ix] *= epsilon/(PI * RefState.L);
//cout << ix << " x = " << x << "\trho = " << rho[ix] << "\trhoh = " << rhoh[ix] << "\trho + rhoh = " << rho[ix] + rhoh[ix] << endl;
}
// Now calculate the entropy:
complex<DP> entropy = 0.0;
DP Deltax = log(RefState.L)/RefState.L;
for (int ix = 0; ix < Nptsx; ++ix)
//entropy -= ln_Gamma (1.0 + rho[ix]) + ln_Gamma (2.0 - rho[ix]); // This is ln (\rho_tot choose \rho) with \rho_tot = 1.
entropy += ln_Gamma (RefState.L * (rho[ix] + rhoh[ix]) * Deltax + 1.0) - ln_Gamma(RefState.L * rho[ix] * Deltax + 1.0) - ln_Gamma (RefState.L * rhoh[ix] * Deltax + 1.0); // This is ln (\rho_tot choose \rho) with \rho_tot = 1.
entropy *= dx/Deltax;
//cout << "Entropy found " << entropy << "\t" << real(entropy) << endl;
return(real(entropy));
}
*/
/*
DP Entropy_rho (LiebLin_Bethe_State& RefState, int Delta)
{
// This function calculates the discrete entropy of a finite Lieb-Liniger state,
// counting the possible permutations within windows of fixed width.
// We assume that the quantum numbers are ordered.
// Calculate a density \rho_\Delta (x) for x_j on the lattice:
int iK_UL = ABACUS::max(RefState.Ix2[0], RefState.Ix2[RefState.N - 1]);
Vect<double> rhoD(0.0, 2* iK_UL);
int fourDeltasq = 4 * Delta * Delta;
for (int ix = 0; ix < 2* iK_UL; ++ix) {
// x = (-iK_UL + 1/2 + ix)/L
for (int i = 0; i < RefState.N; ++i) rhoD[ix] += 1.0/((-2*iK_UL + 1 + 2*ix -RefState.Ix2[i]) * (-2*iK_UL + 1 + 2*ix -RefState.Ix2[i]) + fourDeltasq);
rhoD[ix] *= 4.0 * Delta/PI;
//cout << "x = " << (-iK_UL + 1/2 + ix)/RefState.L << "\trhoD = " << rhoD[ix] << endl;
}
// Now calculate the entropy:
DP entropy = 0.0;
for (int ix = 0; ix < 2* iK_UL; ++ix)
entropy -= rhoD[ix] * log(rhoD[ix]) + (1.0 - rhoD[ix]) * log(1.0 - rhoD[ix]);
return(entropy);
}
*/
DP Entropy_Fixed_Delta (LiebLin_Bethe_State& RefState, int Delta)
{
@ -139,13 +29,13 @@ namespace ABACUS {
// We assume that the quantum numbers are ordered.
// Fill in vector of occupancies:
int nrIs = (RefState.Ix2[RefState.N-1] - RefState.Ix2[0])/2 + 1 + 2*Delta; // assume Ix2 are ordered, leave space of Delta on both sides
// assume Ix2 are ordered, leave space of Delta on both sides
int nrIs = (RefState.Ix2[RefState.N-1] - RefState.Ix2[0])/2 + 1 + 2*Delta;
Vect<int> occupancy(0, nrIs); // leave space of Delta on both sides
for (int i = 0; i < RefState.N; ++i) occupancy[Delta + (RefState.Ix2[i] -RefState.Ix2[0])/2] = 1;
// Check:
int ncheck = 0;
for (int i = 0; i < nrIs; ++i) if(occupancy[i] == 1) ncheck++;
//cout << "Check occupancy: " << endl << occupancy << endl;
if (ncheck != RefState.N) {
cout << ncheck << "\t" << RefState.N << endl;
ABACUSerror("Counting q numbers incorrectly in Entropy.");
@ -154,10 +44,6 @@ namespace ABACUS {
// Define some useful numbers:
Vect_DP oneoverDeltalnchoose(Delta + 1);
for (int i = 0; i <= Delta; ++i) oneoverDeltalnchoose[i] = ln_choose(Delta, i)/Delta;
//Vect_DP oneoverDeltalnchoosecheck(Delta + 1);
//for (int i = 0; i <= Delta; ++i) oneoverDeltalnchoosecheck[i] = log(DP(choose(Delta, i)))/Delta;
//cout << oneoverDeltalnchoose << endl;
//cout << oneoverDeltalnchoosecheck << endl;
// Compute entropy:
DP entropy = 0.0;
@ -185,288 +71,18 @@ namespace ABACUS {
int Delta = int(log(RefState.L));
return(Entropy (RefState, Delta));
}
/*
DP Canonical_Free_Energy (LiebLin_Bethe_State& RefState, DP kBT, int Delta)
{
return(RefState.E - kBT * Entropy (RefState, Delta));
}
DP Canonical_Free_Energy (LiebLin_Bethe_State& RefState, DP kBT, int Delta)
{
return(RefState.E - kBT * Entropy (RefState, Delta));
}
*/
DP Canonical_Free_Energy (LiebLin_Bethe_State& RefState, DP kBT)
{
return(RefState.E - kBT * Entropy (RefState));
}
/*
//LiebLin_Bethe_State Canonical_Saddle_Point_State (DP c_int, DP L, int N, DP kBT, int Delta)
LiebLin_Bethe_State Canonical_Saddle_Point_State_pre20110618 (DP c_int, DP L, int N, DP kBT, DP epsilon)
{
// This function returns the discretized state minimizing the canonical free energy
// F = E - T S.
LiebLin_Bethe_State spstate(c_int, L, N);
spstate.Compute_All (true);
if (kBT < 1.0e-3) return(spstate); // interpret as zero T case
LiebLin_Bethe_State spstateup = spstate;
LiebLin_Bethe_State spstatedown = spstate;
bool converged = false;
bool convergedati = false;
DP canfreeenstay, canfreeenup, canfreeendown;
DP Estay, Eup, Edown;
DP Sstay, Sup, Sdown;
while (!converged) {
spstate.Compute_All (false);
converged = true; // set to false if we change anything
// If we can minimize the free energy by changing the quantum number, we do:
// NOTE: we keep the state symmetric w/r to parity.
for (int i = 0; i < N/2; ++i) {
// Try to increase or decrease this quantum number
convergedati = false;
while (!convergedati) {
convergedati = true; // set to false if we change anything
Estay = spstate.E;
//Sstay = Entropy (spstate, Delta);
Sstay = Entropy (spstate, epsilon);
//canfreeenstay = Canonical_Free_Energy (spstate, kBT, Delta);
canfreeenstay = Estay - kBT * Sstay;
spstateup = spstate;
if (i == 0 || spstateup.Ix2[i-1] < spstateup.Ix2[i] - 2) {
spstateup.Ix2[i] -= 2;
spstateup.Ix2[N-1-i] += 2;
spstateup.Compute_All(false);
Eup = spstateup.E;
//Sup = Entropy(spstateup, Delta);
Sup = Entropy(spstateup, epsilon);
//canfreeenup = Canonical_Free_Energy (spstateup, kBT, Delta);
canfreeenup = Eup - kBT * Sup;
}
else canfreeenup = canfreeenstay + 1.0e-6;
spstatedown = spstate;
if (spstatedown.Ix2[i+1] > spstatedown.Ix2[i] + 2) {
spstatedown.Ix2[i] += 2;
spstatedown.Ix2[N-1-i] -= 2;
spstatedown.Compute_All(false);
Edown = spstatedown.E;
//Sdown = Entropy(spstatedown, Delta);
Sdown = Entropy(spstatedown, epsilon);
//canfreeendown = Canonical_Free_Energy (spstatedown, kBT, Delta);
canfreeendown = Edown - kBT * Sdown;
}
else canfreeendown = canfreeenstay + 1.0e-6;
//cout << "i = " << i << "\t" << spstate.Ix2[i] << "\t\t" << canfreeenstay << "\t" << canfreeenup << "\t" << canfreeendown
// << "\t\t" << Estay << "\t" << Eup << "\t" << Edown << "\t\t" << Sstay << "\t" << Sup << "\t" << Sdown << endl;
// Choose what to do:
if (canfreeenup < canfreeenstay && canfreeendown < canfreeenstay)
cout << canfreeenstay << "\t" << canfreeenup << "\t" << canfreeendown << "\tWarning: unclear option for minimization." << endl;
else if (canfreeenup < canfreeenstay) {
spstate = spstateup;
convergedati = false;
converged = false;
}
else if (canfreeendown < canfreeenstay) {
spstate = spstatedown;
convergedati = false;
converged = false;
}
// else do nothing.
} // while !convergedati
} // for i
} // while (!converged)
return(spstate);
}
*/
/* REMOVED FROM ++G_3 ONWARDS
//LiebLin_Bethe_State Canonical_Saddle_Point_State (DP c_int, DP L, int N, DP kBT, int Delta)
//LiebLin_Bethe_State Canonical_Saddle_Point_State (DP c_int, DP L, int N, DP kBT, DP epsilon)
LiebLin_Bethe_State Canonical_Saddle_Point_State_pre8 (DP c_int, DP L, int N, DP kBT)
{
// This function returns the discretized state minimizing the canonical free energy
// F = E - T S.
// Improvement on version pre20110618: allow for pairwise `in' and `out' movements
// keeping the energy the same to order 1/L^2 but changing the entropy.
// The regulator Delta also has become an `internal' parameter.
LiebLin_Bethe_State spstate(c_int, L, N);
spstate.Compute_All (true);
if (kBT < 1.0e-3) return(spstate); // interpret as zero T case
LiebLin_Bethe_State spstateup = spstate;
LiebLin_Bethe_State spstatedown = spstate;
LiebLin_Bethe_State spstatein = spstate;
LiebLin_Bethe_State spstateout = spstate;
bool converged = false;
bool convergedati = false;
DP canfreeenstay, canfreeenup, canfreeendown, canfreeenin, canfreeenout;
DP Estay, Eup, Edown, Ein, Eout;
DP Sstay, Sup, Sdown, Sin, Sout;
Estay = 0.0; Eup = 0.0; Edown = 0.0; Ein = 0.0; Eout = 0.0;
Sstay = 0.0; Sup = 0.0; Sdown = 0.0; Sin = 0.0; Sout = 0.0;
while (!converged) {
spstate.Compute_All (false);
converged = true; // set to false if we change anything
// If we can minimize the free energy by changing the quantum number, we do:
// NOTE: we keep the state symmetric w/r to parity.
for (int i = 0; i < N/2 - 1; ++i) {
// Try to increase or decrease the quantum numbers at i ,
// or do an (approximately) energy-preserving move with i+1 (and parity pairs)
// giving 5 possible options: stay same, (\pm 1, 0), (+1, -1), (-1, +1)
convergedati = false;
while (!convergedati) {
convergedati = true; // set to false if we change anything
Estay = spstate.E;
Sstay = Entropy (spstate);
//Sstay = Entropy (spstate, Delta);
//Sstay = Entropy (spstate, epsilon);
//canfreeenstay = Canonical_Free_Energy (spstate, kBT, Delta);
canfreeenstay = Estay - kBT * Sstay;
spstateup = spstate;
if (i == 0 || spstateup.Ix2[i-1] < spstateup.Ix2[i] - 2) {
spstateup.Ix2[i] -= 2;
spstateup.Ix2[N-1-i] += 2;
spstateup.Compute_All(false);
Eup = spstateup.E;
Sup = Entropy(spstateup);
//Sup = Entropy(spstateup, Delta);
//Sup = Entropy(spstateup, epsilon);
//canfreeenup = Canonical_Free_Energy (spstateup, kBT, Delta);
canfreeenup = Eup - kBT * Sup;
}
else canfreeenup = canfreeenstay + 1.0e-6;
spstatedown = spstate;
if (spstatedown.Ix2[i+1] > spstatedown.Ix2[i] + 2) {
spstatedown.Ix2[i] += 2;
spstatedown.Ix2[N-1-i] -= 2;
spstatedown.Compute_All(false);
Edown = spstatedown.E;
Sdown = Entropy(spstatedown);
//Sdown = Entropy(spstatedown, Delta);
//Sdown = Entropy(spstatedown, epsilon);
//canfreeendown = Canonical_Free_Energy (spstatedown, kBT, Delta);
canfreeendown = Edown - kBT * Sdown;
}
else canfreeendown = canfreeenstay + 1.0e-6;
spstatein = spstate;
if (spstatein.Ix2[i+1] > spstatein.Ix2[i] + 4) { // can move them closer
spstatein.Ix2[i] += 2;
spstatein.Ix2[i+1] -= 2;
spstatein.Ix2[N-1-i] -= 2;
spstatein.Ix2[N-1-i-1] += 2;
spstatein.Compute_All(false);
Ein = spstatein.E;
Sin = Entropy(spstatein);
//Sin = Entropy(spstatein, Delta);
//Sin = Entropy(spstatein, epsilon);
//canfreeenin = Canonical_Free_Energy (spstatein, kBT, Delta);
canfreeenin = Ein - kBT * Sin;
}
else canfreeenin = canfreeenstay + 1.0e-6;
spstateout = spstate;
if (i == 0 && spstateout.Ix2[1] + 2 < spstateout.Ix2[2]
|| (i < N/2 - 1 && spstateout.Ix2[i] - 2 > spstateout.Ix2[i-1]
&& spstateout.Ix2[i+1] + 2 < spstateout.Ix2[i+2])) { // can move them further apart
spstateout.Ix2[i] -= 2;
spstateout.Ix2[i+1] += 2;
spstateout.Ix2[N-1-i] += 2;
spstateout.Ix2[N-1-i-1] -= 2;
spstateout.Compute_All(false);
Eout = spstateout.E;
Sout = Entropy(spstateout);
//Sout = Entropy(spstateout, Delta);
//Sout = Entropy(spstateout, epsilon);
//canfreeenout = Canonical_Free_Energy (spstateout, kBT, Delta);
canfreeenout = Eout - kBT * Sout;
}
else canfreeenout = canfreeenstay + 1.0e-6;
//cout << setprecision(8) << "i = " << i << "\t" << spstate.Ix2[i] << "\t" << spstate.Ix2[i+1] << "\t\t" << canfreeenstay << "\t" << canfreeenup << "\t" << canfreeendown << "\t" << canfreeenin << "\t" << canfreeenout << endl;
//cout << "\t\tE: " << Estay << "\t" << Eup << "\t" << Edown << "\t" << Ein << "\t" << Eout << endl;
//cout << "\t\tS: " << Sstay << "\t" << Sup << "\t" << Sdown << "\t" << Sin << "\t" << Sout << endl;
// Choose what to do: find minimum,
if (canfreeenstay < canfreeenup && canfreeenstay < canfreeendown && canfreeenstay < canfreeenin && canfreeenstay < canfreeenout) {
// do nothing, convergetati is already true
}
else if (canfreeenup < canfreeenstay && canfreeenup < canfreeendown && canfreeenup < canfreeenin && canfreeenup < canfreeenout) {
spstate = spstateup;
convergedati = false;
converged = false;
}
else if (canfreeendown < canfreeenstay && canfreeendown < canfreeenup && canfreeendown < canfreeenin && canfreeendown < canfreeenout) {
spstate = spstatedown;
convergedati = false;
converged = false;
}
else if (canfreeenin < canfreeenstay && canfreeenin < canfreeenup && canfreeenin < canfreeendown && canfreeenin < canfreeenout) {
spstate = spstatein;
convergedati = false;
converged = false;
}
else if (canfreeenout < canfreeenstay && canfreeenout < canfreeenup && canfreeenout < canfreeendown && canfreeenout < canfreeenin) {
spstate = spstateout;
convergedati = false;
converged = false;
}
else cout << canfreeenstay << "\t" << canfreeenup << "\t" << canfreeendown << "\t" << canfreeenin << "\t" << canfreeenout << "\tWarning: unclear option for minimization." << endl;
// else do nothing.
} // while !convergedati
} // for i
} // while (!converged)
//cout << "Number of holes between I's: " << endl;
//for (int i = 0; i < N/2; ++i) cout << (spstate.Ix2[i+1] - spstate.Ix2[i])/2 - 1 << "\t";
//cout << endl;
return(spstate);
}
*/
DP rho_of_lambdaoc_1 (LiebLin_Bethe_State& RefState, DP lambdaoc, DP delta)
{
DP answer = 0.0;
for (int i = 0; i < RefState.N; ++i)
answer += atan((lambdaoc - RefState.lambdaoc[i])/delta + 0.5) - atan((lambdaoc - RefState.lambdaoc[i])/delta - 0.5);
answer += atan((lambdaoc - RefState.lambdaoc[i])/delta + 0.5)
- atan((lambdaoc - RefState.lambdaoc[i])/delta - 0.5);
answer *= 1.0/(PI * delta * RefState.L);
return(answer);

18
src/LIEBLIN/LiebLin_Twisted_ln_Overlap.cc
View File

@ -51,14 +51,16 @@ namespace ABACUS {
return(1.0/Fn_V (j, -sign, lstate_lambdaoc, rstate));
}
complex<DP> LiebLin_Twisted_ln_Overlap (DP expbeta, Vect<DP> lstate_lambdaoc, DP lstate_lnnorm, LiebLin_Bethe_State& rstate)
complex<DP> LiebLin_Twisted_ln_Overlap (DP expbeta, Vect<DP> lstate_lambdaoc,
DP lstate_lnnorm, LiebLin_Bethe_State& rstate)
{
Vect<complex<DP> > lstate_lambdaoc_CX(lstate_lambdaoc.size());
for (int i = 0; i < lstate_lambdaoc.size(); ++i) lstate_lambdaoc_CX[i] = complex<DP>(lstate_lambdaoc[i]);
return(LiebLin_Twisted_ln_Overlap (complex<DP>(expbeta), lstate_lambdaoc_CX, lstate_lnnorm, rstate));
}
complex<DP> LiebLin_Twisted_ln_Overlap (complex<DP> expbeta, Vect<complex<DP> > lstate_lambdaoc, DP lstate_lnnorm, LiebLin_Bethe_State& rstate)
complex<DP> LiebLin_Twisted_ln_Overlap (complex<DP> expbeta, Vect<complex<DP> > lstate_lambdaoc,
DP lstate_lnnorm, LiebLin_Bethe_State& rstate)
{
// Computes the log of the overlap between the left state and the Bethe rstate
@ -81,13 +83,13 @@ namespace ABACUS {
Fn_Prod[a] = 1.0;
for (int m = 0; m < rstate.N; ++m)
if (m != a) Fn_Prod[a] *= (lstate_lambdaoc[m] - rstate.lambdaoc[a])/(rstate.lambdaoc[m] - rstate.lambdaoc[a]);
//rKern[a] = rstate.Kernel (a, p);
rKern[a] = Kernel_Twisted (expbeta, rstate.lambdaoc[p] - rstate.lambdaoc[a]);
}
for (int a = 0; a < rstate.N; ++a)
for (int b = 0; b < rstate.N; ++b)
one_plus_U[a][b] = (a == b ? 1.0 : 0.0) + ((lstate_lambdaoc[a] - rstate.lambdaoc[a])/(1.0/Vplus_Nikita[a] - 1.0/Vminus_Nikita[a]))
one_plus_U[a][b] = (a == b ? 1.0 : 0.0)
+ ((lstate_lambdaoc[a] - rstate.lambdaoc[a])/(1.0/Vplus_Nikita[a] - 1.0/Vminus_Nikita[a]))
* Fn_Prod[a] * (Kernel_Twisted(expbeta, rstate.lambdaoc[a] - rstate.lambdaoc[b]) - rKern[b]);
complex<DP> ln_ddalpha_sigma = lndet_LU_CX_dstry(one_plus_U);
@ -101,16 +103,8 @@ namespace ABACUS {
for (int b = 0; b < rstate.N; ++b)
ln_prod_2 += log((lstate_lambdaoc[a] - rstate.lambdaoc[b] - II)/(rstate.lambdaoc[a] - lstate_lambdaoc[b]));
//cout << endl << ln_ddalpha_sigma << "\t" << ln_prod_V << "\t" << ln_prod_2 << "\t" << - log(2.0 * II * imag(Vplus[p])) << endl;
//cout << endl << ln_ddalpha_sigma << "\t" << ln_prod_V << "\t" << ln_prod_2 << "\t" << - log(Vplus[p] - Vminus[p]) << endl;
ln_ddalpha_sigma += ln_prod_V + ln_prod_2 - log(Vplus_Nikita[p] - expbeta * Vminus_Nikita[p]);
//cout << "shift = " << (complex<DP>(rstate.N) * (lstate_lambdaoc[0] - rstate.lambdaoc[0])/twoPI) << "\tKout = " << Kout << "\texp(-II*Kout) = " << exp(-II * Kout)
// << "\tlog(exp(-II * Kout) - 1.0) = " << log(exp(-II * Kout) - 1.0) << endl;
//cout << ln_ddalpha_sigma << "\t" << ln_prod_V << "\t" << ln_prod_2 << "\t" << lstate_lnnorm << endl << endl;
//return (log(1.0 - expbeta) + ln_ddalpha_sigma - 0.5 * (lstate_lnnorm + rstate.lnnorm));
return (log(1.0 - exp(-II * Kout)) + ln_ddalpha_sigma - 0.5 * (lstate_lnnorm + rstate.lnnorm));
}

3
src/LIEBLIN/LiebLin_Twisted_lnnorm.cc
View File

@ -35,7 +35,8 @@ namespace ABACUS {
for (int k = 0; k < N; ++k) {
if (j == k) {
sum_Kernel = 0.0;
for (int kp = 0; kp < N; ++kp) if (j != kp) sum_Kernel += 2.0/((lambdaoc[j] - lambdaoc[kp]) * (lambdaoc[j] - lambdaoc[kp]) + 1.0);
for (int kp = 0; kp < N; ++kp)
if (j != kp) sum_Kernel += 2.0/((lambdaoc[j] - lambdaoc[kp]) * (lambdaoc[j] - lambdaoc[kp]) + 1.0);
Gaudin[j][k] = cxL + sum_Kernel;
}
else Gaudin[j][k] = - 2.0/((lambdaoc[j] - lambdaoc[k]) * (lambdaoc[j] - lambdaoc[k]) + 1.0);

6
src/LIEBLIN/LiebLin_Utils.cc
View File

@ -97,13 +97,11 @@ namespace ABACUS {
lambda.Build_Reduced_Gaudin_Matrix ( Gaudin);
lambda.Build_Reduced_BEC_Quench_Gaudin_Matrix (Gaudin_Quench);
//DP ln_prefactor = N/2.0 * log(2./fabs(c_int*L) ) + 0.5 * (N*log(N) - N + 0.5*log(2. * PI * N));
DP ln_prefactor = N/2.0 * log(2./(c_int*L) ) + 0.5 * real(ln_Gamma(complex<double>(N+1.0)));
for(int i =N/2; i<N; i ++) ln_prefactor -= log(fabs(lambda.lambdaoc[i ])) + 0.5*log( 1. + 4. * lambda.lambdaoc[i ]*lambda.lambdaoc[i ]) ;
for(int i =N/2; i<N; i ++)
ln_prefactor -= log(fabs(lambda.lambdaoc[i ])) + 0.5*log( 1. + 4. * lambda.lambdaoc[i ]*lambda.lambdaoc[i ]) ;
//cout << ln_prefactor << endl;
return (ln_prefactor + real(lndet_LU_dstry(Gaudin_Quench)) - 0.5 * real(lndet_LU_dstry(Gaudin)));
}

99
src/LIEBLIN/LiebLin_ln_Overlap.cc
View File

@ -19,22 +19,6 @@ using namespace std;
using namespace ABACUS;
namespace ABACUS {
/*
complex<DP> Fn_V (int j, int sign, Vect<complex<DP> >& lstate_lambdaoc, LiebLin_Bethe_State& rstate)
{
complex<DP> result_num = 1.0;
complex<DP> result_den = 1.0;
complex<DP> signcx = complex<DP>(sign);
for (int m = 0; m < rstate.N; ++m) {
result_num *= (lstate_lambdaoc[m] - rstate.lambdaoc[j] + signcx * II);
result_den *= (rstate.lambdaoc[m] - rstate.lambdaoc[j] + signcx * II);
}
return(result_num/result_den);
}
*/
complex<DP> LiebLin_ln_Overlap (Vect<DP> lstate_lambdaoc, DP lstate_lnnorm, LiebLin_Bethe_State& rstate)
{
@ -77,26 +61,12 @@ namespace ABACUS {
for (int j = 0; j < rstate.N; ++j)
for (int k = 0; k < rstate.N; ++k)
//Omega[j][k] = exp(-II * rstate.cxL * lstate_lambdaoc[k] + ln_prod_plus[k] - ln_prod_ll_plus[k])
//* (II/((rstate.lambdaoc[j] - lstate_lambdaoc[k])*(rstate.lambdaoc[j] - lstate_lambdaoc[k] + II)))
//- (II/((rstate.lambdaoc[j] - lstate_lambdaoc[k])*(rstate.lambdaoc[j] - lstate_lambdaoc[k] - II)))
//* exp(ln_prod_minus[k] - ln_prod_ll_plus[k]);
Omega[j][k] = exp(-II * rstate.cxL * lstate_lambdaoc[k] - ln_prod_plus[k] + ln_prod_minus[k])
* (II/((rstate.lambdaoc[j] - lstate_lambdaoc[k])*(rstate.lambdaoc[j] - lstate_lambdaoc[k] - II)))
- (II/((rstate.lambdaoc[j] - lstate_lambdaoc[k])*(rstate.lambdaoc[j] - lstate_lambdaoc[k] + II)));
//for (int j = 0; j < rstate.N; ++j) {
//for (int k = 0; k < rstate.N; ++k)
//cout << Omega[j][k] << "\t";
//cout << endl;
//}
complex<DP> lndetOmega = lndet_LU_CX_dstry(Omega);
//cout << "lndetOmega = " << lndetOmega << endl;
// Prefactors:
complex<DP> ln_prod_d_mu = II * 0.5 * rstate.cxL * rstate.lambdaoc.sum();
complex<DP> ln_prod_d_lambdaoc = II * 0.5 * rstate.cxL * lstate_lambdaoc.sum();
@ -107,7 +77,6 @@ namespace ABACUS {
for (int j = 0; j < rstate.N - 1; ++j)
for (int k = j+1; k < rstate.N; ++k) {
ln_prod_mu += log(rstate.lambdaoc[k] - rstate.lambdaoc[j]);
//ln_prod_lambdaoc += log((lstate_lambdaoc[j] - lstate_lambdaoc[k] + II) * (lstate_lambdaoc[j] - lstate_lambdaoc[k] - II)/(lstate_lambdaoc[k] - lstate_lambdaoc[j]));
ln_prod_lambdaoc += log(lstate_lambdaoc[k] - lstate_lambdaoc[j]);
}
@ -115,72 +84,8 @@ namespace ABACUS {
for (int k = 0; k < rstate.N; ++k)
ln_prod_plusminus += log((rstate.lambdaoc[j] - lstate_lambdaoc[k] + II));
//cout << "ln_prod_mu " << ln_prod_mu << "\tln_prod_lambdaoc " << ln_prod_lambdaoc << "\tln_prod_plusminus " << ln_prod_plusminus
// << "\texp1 " << exp(-ln_prod_mu - ln_prod_lambdaoc) << "\texp2 " << exp(ln_prod_plusminus) << endl;
//if (real(ln_prod_d_mu + ln_prod_d_lambdaoc - ln_prod_mu + ln_prod_lambdaoc + lndetOmega - 0.5 * (lstate_lnnorm + rstate.lnnorm)) > 10.0) {
//cout << ln_prod_d_mu << "\t" << ln_prod_d_lambdaoc << "\t" << -ln_prod_mu << "\t" << ln_prod_lambdaoc << "\t" << lndetOmega << "\t" << -0.5 * lstate_lnnorm << "\t" << -0.5 * rstate.lnnorm << endl; cout << ln_prod_d_mu + ln_prod_d_lambdaoc - ln_prod_mu + ln_prod_lambdaoc + lndetOmega - 0.5 * (lstate_lnnorm + rstate.lnnorm) << endl;
//ABACUSerror("Overlap exceeds 1.");
//}
//return(ln_prod_d_mu + ln_prod_d_lambdaoc - ln_prod_mu + ln_prod_lambdaoc + lndetOmega - 0.5 * (lstate_lnnorm + rstate.lnnorm));
return(ln_prod_d_mu + ln_prod_d_lambdaoc - ln_prod_mu - ln_prod_lambdaoc + ln_prod_plusminus + lndetOmega - 0.5 * (lstate_lnnorm + rstate.lnnorm));
return(ln_prod_d_mu + ln_prod_d_lambdaoc - ln_prod_mu - ln_prod_lambdaoc + ln_prod_plusminus
+ lndetOmega - 0.5 * (lstate_lnnorm + rstate.lnnorm));
}
/*
// Incorrect version
complex<DP> LiebLin_ln_Overlap (Vect<complex<DP> > lstate_lambdaoc, DP lstate_lnnorm, LiebLin_Bethe_State& rstate)
{
// Computes the log of the overlap between the left state and the Bethe rstate
// If momentum difference is zero but states are different, then form factor is zero:
SQMat_CX one_plus_U (0.0, rstate.N);
Vect_CX Vplus (0.0, rstate.N); // contains V^+_j
Vect_CX Vminus (0.0, rstate.N); // contains V^-_j
Vect_CX Fn_Prod (0.0, rstate.N); // product_{m\neq j} (\mu_m - \lambdaoc_j)/(\lambdaoc_m - \lambdaoc_j)
//Vect_DP rKern (0.0, rstate.N); // K(lambdaoc_j - lambdaoc_p)
//int p = 0;
complex<DP> Kout = lstate_lambdaoc.sum() - rstate.K;
for (int a = 0; a < rstate.N; ++a) {
Vplus[a] = Fn_V (a, 1, lstate_lambdaoc, rstate);
Vminus[a] = Fn_V (a, -1, lstate_lambdaoc, rstate);
Fn_Prod[a] = 1.0;
for (int m = 0; m < rstate.N; ++m)
if (m != a) Fn_Prod[a] *= (lstate_lambdaoc[m] - rstate.lambdaoc[a])/(rstate.lambdaoc[m] - rstate.lambdaoc[a]);
//rKern[a] = rstate.Kernel (a, p);
}
for (int a = 0; a < rstate.N; ++a)
for (int b = 0; b < rstate.N; ++b)
one_plus_U[a][b] = (a == b ? 1.0 : 0.0) + II * ((lstate_lambdaoc[a] - rstate.lambdaoc[a])/(Vplus[a] - Vminus[a]))
* Fn_Prod[a] * rstate.Kernel(a,b);
complex<DP> ln_ddalpha_sigma = lndet_LU_CX_dstry(one_plus_U);
complex<DP> ln_prod_V = 0.0;
for (int a = 0; a < rstate.N; ++a) ln_prod_V += log(Vplus[a] - Vminus[a]);
complex<DP> ln_prod_2 = 0.0;
for (int a = 0; a < rstate.N; ++a)
for (int b = 0; b < rstate.N; ++b)
ln_prod_2 += log((rstate.lambdaoc[a] - rstate.lambdaoc[b] + II)/(lstate_lambdaoc[a] - rstate.lambdaoc[b]));
//cout << endl << ln_ddalpha_sigma << "\t" << ln_prod_V << "\t" << ln_prod_2 << "\t" << - log(2.0 * II * imag(Vplus[p])) << endl;
cout << endl << ln_ddalpha_sigma << "\t" << ln_prod_V << "\t" << ln_prod_2 << "\t" << 0.5 * lstate_lnnorm << "\t" << 0.5 * rstate.lnnorm << endl;//- log(Vplus[p] - Vminus[p]) << endl;
ln_ddalpha_sigma += ln_prod_V + ln_prod_2;// - log(Vplus[p] - Vminus[p]);
//cout << "shift = " << (complex<DP>(rstate.N) * (lstate_lambdaoc[0] - rstate.lambdaoc[0])/twoPI) << "\tKout = " << Kout << "\texp(-II*Kout) = " << exp(-II * Kout)
// << "\tlog(exp(-II * Kout) - 1.0) = " << log(exp(-II * Kout) - 1.0) << endl;
//cout << ln_ddalpha_sigma << "\t" << ln_prod_V << "\t" << ln_prod_2 << "\t" << - log(Vplus[p] - Vminus[p]) << "\t" << lstate_lnnorm << endl << endl;
return (ln_ddalpha_sigma - 0.5 * (lstate_lnnorm + rstate.lnnorm));
}
*/
} // namespace ABACUS

20
src/LIEBLIN/ln_Density_ME.cc
View File

@ -21,17 +21,12 @@ namespace ABACUS {
complex<DP> Fn_V (int j, LiebLin_Bethe_State& lstate, LiebLin_Bethe_State& rstate)
{
//complex<DP> result_num = 1.0;
//complex<DP> result_den = 1.0;
complex<DP> result = 1.0;
for (int m = 0; m < lstate.N; ++m) {
//result_num *= (lstate.lambdaoc[m] - rstate.lambdaoc[j] + II);
//result_den *= (rstate.lambdaoc[m] - rstate.lambdaoc[j] + II);
result *= (lstate.lambdaoc[m] - rstate.lambdaoc[j] + II)/(rstate.lambdaoc[m] - rstate.lambdaoc[j] + II);
}
//return(result_num/result_den);
return(result);
}
@ -40,18 +35,14 @@ namespace ABACUS {
// Computes the log of the density operator \rho(x = 0) matrix element between lstate and rstate.
// If we have lstate == rstate, density matrix element = N/L:
if (lstate.Ix2 == rstate.Ix2) return(log(lstate.N/lstate.L));
// If momentum difference is zero but states are different, then matrix element is zero:
else if (lstate.iK == rstate.iK) return(-200.0); // so exp(.) is zero
SQMat_DP one_plus_U (0.0, lstate.N);
Vect_CX Vplus (0.0, lstate.N); // contains V^+_j; V^-_j is the conjugate
//Vect_DP Fn_Prod (0.0, lstate.N); // product_{m\neq j} (\mu_m - \lambdaoc_j)/(\lambdaoc_m - \lambdaoc_j)
// From ABACUS++G_3 onwards: use logs to stabilize numerical values at small c, at the cost of execution speed.
Vect_CX ln_Fn_Prod (0.0, lstate.N); // product_{m\neq j} (\mu_m - \lambdaoc_j)/(\lambdaoc_m - \lambdaoc_j)
Vect_DP rKern (0.0, lstate.N); // K(lambdaoc_j - lambdaoc_(p == arbitrary))
@ -62,19 +53,17 @@ namespace ABACUS {
for (int a = 0; a < lstate.N; ++a) {
Vplus[a] = Fn_V (a, lstate, rstate);
//Fn_Prod[a] = 1.0;
ln_Fn_Prod[a] = 0.0;;
for (int m = 0; m < lstate.N; ++m)
//if (m != a) Fn_Prod[a] *= (lstate.lambdaoc[m] - rstate.lambdaoc[a])/(rstate.lambdaoc[m] - rstate.lambdaoc[a]);
if (m != a) ln_Fn_Prod[a] += log(complex<DP>(lstate.lambdaoc[m] - rstate.lambdaoc[a])/(rstate.lambdaoc[m] - rstate.lambdaoc[a]));
if (m != a) ln_Fn_Prod[a] += log(complex<DP>(lstate.lambdaoc[m] - rstate.lambdaoc[a])
/(rstate.lambdaoc[m] - rstate.lambdaoc[a]));
rKern[a] = rstate.Kernel (a, p);
}
for (int a = 0; a < lstate.N; ++a)
for (int b = 0; b < lstate.N; ++b)
one_plus_U[a][b] = (a == b ? 1.0 : 0.0) + 0.5 * ((lstate.lambdaoc[a] - rstate.lambdaoc[a])/imag(Vplus[a]))
//* Fn_Prod[a] * (rstate.Kernel(a,b) - rKern[b]);
* real(exp(ln_Fn_Prod[a])) * (rstate.Kernel(a,b) - rKern[b]);
* real(exp(ln_Fn_Prod[a])) * (rstate.Kernel(a,b) - rKern[b]); // BUGRISK: why real here?
complex<DP> ln_ddalpha_sigma = lndet_LU_dstry(one_plus_U);
@ -86,9 +75,6 @@ namespace ABACUS {
for (int b = 0; b < lstate.N; ++b)
ln_prod_2 += log((rstate.lambdaoc[a] - rstate.lambdaoc[b] + II)/(lstate.lambdaoc[a] - rstate.lambdaoc[b]));
//cout << "ln_Fn_Prod = " << ln_Fn_Prod << endl;
//cout << endl << ln_ddalpha_sigma << "\t" << ln_prod_V << "\t" << ln_prod_2 << "\t" << - log(2.0 * II * imag(Vplus[p])) << "\t" << - 0.5 * (lstate.lnnorm + rstate.lnnorm) << "\t" << ln_ddalpha_sigma + ln_prod_V + ln_prod_2 - log(2.0 * II * imag(Vplus[p])) - 0.5 * (lstate.lnnorm + rstate.lnnorm) << endl;
ln_ddalpha_sigma += ln_prod_V + ln_prod_2 - log(2.0 * II * imag(Vplus[p]));
return (log(-II * Kout) + ln_ddalpha_sigma - 0.5 * (lstate.lnnorm + rstate.lnnorm));

10
src/LIEBLIN/ln_Psi_ME.cc
View File

@ -66,16 +66,16 @@ namespace ABACUS {
complex<DP> ln_prod_lambdaocsq_plus_one = 0.0;
for (int a = 0; a < rstate.N - 1; ++a)
for (int b = a; b < rstate.N; ++b)
ln_prod_lambdaocsq_plus_one += log(complex<DP>((rstate.lambdaoc[a] - rstate.lambdaoc[b]) * (rstate.lambdaoc[a] - rstate.lambdaoc[b])) + 1.0);
ln_prod_lambdaocsq_plus_one += log(complex<DP>((rstate.lambdaoc[a] - rstate.lambdaoc[b])
* (rstate.lambdaoc[a] - rstate.lambdaoc[b])) + 1.0);
complex<DP> ln_prod_lambdaoca_min_mub = 0.0;
for (int a = 0; a < rstate.N; ++a)
for (int b = 0; b < lstate.N; ++b)
ln_prod_lambdaoca_min_mub += log(complex<DP>(rstate.lambdaoc[a] - lstate.lambdaoc[b]));
//cout << endl << "Factors are " << ln_det_U_Psi << "\t" << ln_prod_lambdaocsq_plus_one << "\t" << ln_prod_lambdaoca_min_mub << endl;
return (ln_det_U_Psi + 0.5 * log(lstate.c_int) + ln_prod_lambdaocsq_plus_one - ln_prod_lambdaoca_min_mub - 0.5 * (lstate.lnnorm + rstate.lnnorm));
return (ln_det_U_Psi + 0.5 * log(lstate.c_int) + ln_prod_lambdaocsq_plus_one - ln_prod_lambdaoca_min_mub
- 0.5 * (lstate.lnnorm + rstate.lnnorm));
}
}
} // namespace ABACUS

115
src/LIEBLIN/ln_g2_ME.cc
View File

@ -20,105 +20,15 @@ using namespace std;
using namespace ABACUS;
namespace ABACUS {
/*
complex<DP> ln_g2_ME_old_jacopo (LiebLin_Bethe_State& mu, LiebLin_Bethe_State& lambda)
{
if (mu.Ix2 == lambda.Ix2) return(-200.);
DP c_int = mu.c_int;
SQMat_CX G(lambda.N);
SQMat_CX GpB(lambda.N);
SQMat_CX B(lambda.N);
complex<DP> log_themp;
complex<DP> lnprefactor = 0. ;
lnprefactor += 2.*log(c_int) ;
for(int j=0; j < mu.N; ++j){
for(int k=0; k < j; ++k){
lnprefactor -= log((mu.lambdaoc[j] - mu.lambdaoc[k]));
lnprefactor -= log((lambda.lambdaoc[j] - lambda.lambdaoc[k]));
}
}
for(int j=0; j < mu.N; ++j){
for(int k=0; k <mu.N; ++k){
lnprefactor += log(mu.lambdaoc[j] - mu.lambdaoc[k] + II);
}
}
Vect_CX VVP (0.0, mu.N);
Vect_CX VVM (0.0, mu.N);
//compute the vectors
for(int j=0; j < mu.N; ++j) {
log_themp = 0.;
for(int k=0; k < mu.N; ++k) log_themp += log(mu.lambdaoc[j] - lambda.lambdaoc[k] + II) - log(mu.lambdaoc[j] - mu.lambdaoc[k] + II);
VVP[j] = exp(log_themp);
}
for(int j=0; j < mu.N; ++j) {
log_themp = 0.;
for(int k=0; k < mu.N; ++k) log_themp += log(mu.lambdaoc[j] - lambda.lambdaoc[k] - II) - log(mu.lambdaoc[j] - mu.lambdaoc[k] - II);
VVM[j] = exp(log_themp);
}
//compute the sum of determinants
complex<DP> sum_n =0.;
for(int n=0; n < mu.N; ++n) {
// compute the matrices
for (int a = 0; a < mu.N; ++a){
for (int b = 0; b < mu.N; ++b){
if(b == n){
G[a][b] = 2.*II* lambda.lambdaoc[a];
}
else{
G[a][b] = II*1./(lambda.lambdaoc[a] - mu.lambdaoc[b])*( VVP[b]*1.0/(mu.lambdaoc[b] - lambda.lambdaoc[a] + II) +
VVM[b]*1.0/(mu.lambdaoc[b] - lambda.lambdaoc[a] - II) );
}
}
}
for (int a = 0; a < mu.N; ++a){
for (int b = 0; b < mu.N; ++b){
if(b == n){
B[a][b] = 0.;
}
else{
B[a][b] = II*1.0/(mu.lambdaoc[b] - mu.lambdaoc[n] - II) ;
}
}
}
for (int a = 0; a < mu.N; ++a){
for (int b = 0; b < mu.N; ++b){
GpB[a][b] = G[a][b] + B[a][b];
}
}
//finally add
sum_n += exp( lndet_LU_CX(GpB) ) - exp(lndet_LU_CX(G) ) ;
}
return(log(sum_n ) + lnprefactor - 0.5 * (mu.lnnorm + lambda.lnnorm));
}
*/
complex<DP> Fn_V_g2 (int j, LiebLin_Bethe_State& lstate, LiebLin_Bethe_State& rstate)
{
//complex<DP> result_num = 1.0;
//complex<DP> result_den = 1.0;
complex<DP> result = 1.0;
for (int m = 0; m < lstate.N; ++m) {
//result_num *= (lstate.lambdaoc[m] - rstate.lambdaoc[j] + II);
//result_den *= (rstate.lambdaoc[m] - rstate.lambdaoc[j] + II);
result *= (lstate.lambdaoc[m] - rstate.lambdaoc[j] + II)/(rstate.lambdaoc[m] - rstate.lambdaoc[j] + II);
}
//return(result_num/result_den);
return(result);
}
@ -128,44 +38,34 @@ namespace ABACUS {
// Computes the log of the density operator \rho(x = 0) matrix element between lstate and rstate.
// If we have lstate == rstate, density matrix element = 0:
if (lstate.Ix2 == rstate.Ix2) return(-200.);
SQMat_DP one_plus_U (0.0, lstate.N);
Vect_CX Vplus (0.0, lstate.N); // contains V^+_j; V^-_j is the conjugate
//Vect_DP Fn_Prod (0.0, lstate.N); // product_{m\neq j} (\mu_m - \lambdaoc_j)/(\lambdaoc_m - \lambdaoc_j)
// From ABACUS++G_3 onwards: use logs to stabilize numerical values at small c, at the cost of execution speed.
Vect_CX ln_Fn_Prod (0.0, lstate.N); // product_{m\neq j} (\mu_m - \lambdaoc_j)/(\lambdaoc_m - \lambdaoc_j)
Vect_DP rKern (0.0, lstate.N); // K(lambdaoc_j - lambdaoc_(p == arbitrary))
//int p = 0;
int p = rstate.N/2-1; // choice doesn't matter, see 1990_Slavnov_TMP_82 after (3.8). Choose rapidity around the middle.
DP c_int = rstate.c_int;
DP Eout = log(pow(lstate.E - rstate.E,2.)) - (2)*log(c_int) - log(2*lstate.N);
for (int a = 0; a < lstate.N; ++a) {
Vplus[a] = Fn_V_g2 (a, lstate, rstate);
//Fn_Prod[a] = 1.0;
ln_Fn_Prod[a] = 0.0;;
for (int m = 0; m < lstate.N; ++m)
//if (m != a) Fn_Prod[a] *= (lstate.lambdaoc[m] - rstate.lambdaoc[a])/(rstate.lambdaoc[m] - rstate.lambdaoc[a]);
if (m != a) ln_Fn_Prod[a] += log(complex<DP>(lstate.lambdaoc[m] - rstate.lambdaoc[a])/(rstate.lambdaoc[m] - rstate.lambdaoc[a]));
if (m != a) ln_Fn_Prod[a] += log(complex<DP>(lstate.lambdaoc[m] - rstate.lambdaoc[a])
/(rstate.lambdaoc[m] - rstate.lambdaoc[a]));
rKern[a] = rstate.Kernel (a, p);
}
for (int a = 0; a < lstate.N; ++a)
for (int b = 0; b < lstate.N; ++b)
one_plus_U[a][b] = (a == b ? 1.0 : 0.0) + 0.5 * 1./imag(Vplus[a])
//* Fn_Prod[a] * (rstate.Kernel(a,b) - rKern[b]);
* ((lstate.lambdaoc[a] - rstate.lambdaoc[a])*real(exp(ln_Fn_Prod[a])) * (rstate.Kernel(a,b) - rKern[b]) + rKern[b]);
* ((lstate.lambdaoc[a] - rstate.lambdaoc[a])*real(exp(ln_Fn_Prod[a]))
* (rstate.Kernel(a,b) - rKern[b]) + rKern[b]);
complex<DP> ln_ddalpha_sigma = lndet_LU_dstry(one_plus_U);
@ -177,16 +77,9 @@ namespace ABACUS {
for (int b = 0; b < lstate.N; ++b)
ln_prod_2 += log((rstate.lambdaoc[a] - rstate.lambdaoc[b] + II)/(lstate.lambdaoc[a] - rstate.lambdaoc[b]));
//cout << "ln_Fn_Prod = " << ln_Fn_Prod << endl;
//cout << endl << ln_ddalpha_sigma << "\t" << ln_prod_V << "\t" << ln_prod_2 << "\t" << - log(2.0 * II * imag(Vplus[p])) << "\t" << - 0.5 * (lstate.lnnorm + rstate.lnnorm) << "\t" << ln_ddalpha_sigma + ln_prod_V + ln_prod_2 - log(2.0 * II * imag(Vplus[p])) - 0.5 * (lstate.lnnorm + rstate.lnnorm) << endl;
ln_ddalpha_sigma += ln_prod_V + ln_prod_2 - log(2.0 * II * imag(Vplus[p]));
return (log(II) + Eout + ln_ddalpha_sigma - 0.5 * (lstate.lnnorm + rstate.lnnorm));
}
} // namespace ABACUS

7
src/MATRIX/ludcmp_CX.cc
View File

@ -6,7 +6,6 @@ void ABACUS::ludcmp_CX (SQMat_CX& a, Vect_INT& indx, DP& d)
const complex<DP> TINY = 1.0e-200;
int i, j, k;
int imax = 0;
// DP big, dum, sum, temp;
complex<DP> big, dum, sum, temp;
int n = a.size();
@ -16,10 +15,8 @@ void ABACUS::ludcmp_CX (SQMat_CX& a, Vect_INT& indx, DP& d)
for (i = 0; i < n; i++) {
big = 0.0;
for (j = 0; j < n; j++)
// if ((temp = fabs(a[i][j])) > big) big = temp;
if ((abs(temp = a[i][j])) > abs(big)) big = temp;
//if ((norm(temp = a[i][j])) > norm(big)) big = temp;
if (big == 0.0) throw Divide_by_zero(); //ABACUSerror("Singular matrix in routine ludcmp.");
if (big == 0.0) throw Divide_by_zero();
vv[i] = 1.0/big;
}
for (j = 0; j < n; j++) {
@ -33,9 +30,7 @@ void ABACUS::ludcmp_CX (SQMat_CX& a, Vect_INT& indx, DP& d)
sum = a[i][j];
for (k = 0; k < j; k++) sum -= a[i][k] * a[k][j];
a[i][j] = sum;
// if ((dum = vv[i]*fabs(sum)) >= big) {
if ((abs(dum = vv[i]*sum)) >= abs(big)) {
//if ((norm(dum = vv[i]*sum)) >= norm(big)) {
big = dum;
imax = i;
}

1
src/MATRIX/tred2.cc
View File

@ -14,7 +14,6 @@ void ABACUS::tred2 (SQMat_DP& a, Vect_DP& d, Vect_DP& e)
for (k = 0; k < l + 1; k++) scale += fabs(a[i][k]);
if (scale == 0.0) e[i] = a[i][l];
else {
// scale = 1.0; // <- added this myself...
for (k = 0; k < l + 1; k++) {
a[i][k] /= scale;
h += a[i][k] * a[i][k];

73
src/NRG/NRG_DME_Matrix_Block_builder.cc
View File

@ -21,8 +21,10 @@ using namespace ABACUS;
namespace ABACUS {
void Build_DME_Matrix_Block_for_NRG (DP c_int, DP L, int N, int iKmin, int iKmax, int Nstates_required, bool symmetric_states, int iKmod,
int weighing_option, int nrglabel_left_begin, int nrglabel_left_end, int nrglabel_right_begin, int nrglabel_right_end,
void Build_DME_Matrix_Block_for_NRG (DP c_int, DP L, int N, int iKmin, int iKmax,
int Nstates_required, bool symmetric_states, int iKmod,
int weighing_option, int nrglabel_left_begin, int nrglabel_left_end,
int nrglabel_right_begin, int nrglabel_right_end,
int block_option, DP* DME_block_1, DP* DME_block_2, Vect_DP Kweight)
{
// Given a list of states produced by Select_States_for_NRG, this function
@ -39,12 +41,18 @@ namespace ABACUS {
// We assume the DME_blocks are already reserved in memory.
// If !symmetric states, DME_block_2 doesn't need to be allocated.
if (nrglabel_left_begin < 0 || nrglabel_right_begin < 0) ABACUSerror("beginning nrglabels negative in Build_DME_Matrix_Block_for_NRG");
if (nrglabel_left_end >= Nstates_required) ABACUSerror("nrglabel_left_end too large in Build_DME_Matric_Block_for_NRG");
if (nrglabel_right_end >= Nstates_required) ABACUSerror("nrglabel_right_end too large in Build_DME_Matric_Block_for_NRG");
if (nrglabel_left_begin < 0 || nrglabel_right_begin < 0)
ABACUSerror("beginning nrglabels negative in Build_DME_Matrix_Block_for_NRG");
if (nrglabel_left_end >= Nstates_required)
ABACUSerror("nrglabel_left_end too large in Build_DME_Matric_Block_for_NRG");
if (nrglabel_right_end >= Nstates_required)
ABACUSerror("nrglabel_right_end too large in Build_DME_Matric_Block_for_NRG");
if (nrglabel_left_begin > nrglabel_left_end)
ABACUSerror("nrglabels of left states improperly chosen in DME block builder.");
if (nrglabel_right_begin > nrglabel_right_end)
ABACUSerror("nrglabels of right states improperly chosen in DME block builder.");
if (nrglabel_left_begin > nrglabel_left_end) ABACUSerror("nrglabels of left states improperly chosen in DME block builder.");
if (nrglabel_right_begin > nrglabel_right_end) ABACUSerror("nrglabels of right states improperly chosen in DME block builder.");
// DME_block is a pointer of size row_l * col_l, where
int block_row_length = nrglabel_right_end - nrglabel_right_begin + 1;
int block_col_length = nrglabel_left_end - nrglabel_left_begin + 1;
@ -77,7 +85,6 @@ namespace ABACUS {
}
// Read the whole data file:
//const int MAXDATA = 5000000;
const int MAXDATA = ABACUS::max(nrglabel_left_end, nrglabel_right_end) + 10; // 10 for safety...
int* nrglabel = new int[MAXDATA];
@ -123,7 +130,8 @@ namespace ABACUS {
Kept_States_left[nrglabel_left - nrglabel_left_begin] = Scanstate;
if (!Scanstate.conv) cout << "State of label " << label[nrglabel_left] << " did not converge after " << Scanstate.iter_Newton
if (!Scanstate.conv)
cout << "State of label " << label[nrglabel_left] << " did not converge after " << Scanstate.iter_Newton
<< " Newton step; diffsq = " << Scanstate.diffsq << endl;
} // for nrglabel_left
@ -136,7 +144,8 @@ namespace ABACUS {
Kept_States_right[nrglabel_right - nrglabel_right_begin] = Scanstate;
if (!Scanstate.conv) cout << "State of label " << label[nrglabel_right] << " did not converge after " << Scanstate.iter_Newton
if (!Scanstate.conv)
cout << "State of label " << label[nrglabel_right] << " did not converge after " << Scanstate.iter_Newton
<< " Newton step; diffsq = " << Scanstate.diffsq << endl;
} // for nrglabel_left
@ -147,7 +156,6 @@ namespace ABACUS {
for (int lr = 0; lr < block_row_length; ++lr) {
if (Kept_States_left[ll].conv && Kept_States_right[lr].conv
//&& abs(Kept_States[il].iK - Kept_States[ir].iK) % iKmod == 0)
&& abs(Kept_States_left[ll].iK) % iKmod == 0
&& abs(Kept_States_right[lr].iK) % iKmod == 0) {
@ -176,15 +184,19 @@ namespace ABACUS {
if (block_option == 1) {
DME_block_1[ll* block_row_length + lr] =
(Kweight[abs(Kept_States_left[ll].iK - Kept_States_right[lr].iK)] * real(exp(ln_Density_ME (Kept_States_left[ll], Kept_States_right[lr])))
+ Kweight[abs(Kept_States_left[ll].iK - PRstate.iK)] * real(exp(ln_Density_ME (Kept_States_left[ll], PRstate))));
(Kweight[abs(Kept_States_left[ll].iK - Kept_States_right[lr].iK)]
* real(exp(ln_Density_ME (Kept_States_left[ll], Kept_States_right[lr])))
+ Kweight[abs(Kept_States_left[ll].iK - PRstate.iK)]
* real(exp(ln_Density_ME (Kept_States_left[ll], PRstate))));
// We don't do anything with block 2, we don't even assume it's been allocated.
}
else if (block_option == 2) {
DME_block_1[ll* block_row_length + lr] =
Kweight[abs(Kept_States_left[ll].iK - Kept_States_right[lr].iK)] * real(exp(ln_Density_ME (Kept_States_left[ll], Kept_States_right[lr])));
Kweight[abs(Kept_States_left[ll].iK - Kept_States_right[lr].iK)]
* real(exp(ln_Density_ME (Kept_States_left[ll], Kept_States_right[lr])));
DME_block_2[ll* block_row_length + lr] =
Kweight[abs(Kept_States_left[ll].iK - PRstate.iK)] * real(exp(ln_Density_ME (Kept_States_left[ll], PRstate)));
Kweight[abs(Kept_States_left[ll].iK - PRstate.iK)]
* real(exp(ln_Density_ME (Kept_States_left[ll], PRstate)));
}
}
@ -194,15 +206,19 @@ namespace ABACUS {
if (block_option == 1) {
DME_block_1[ll* block_row_length + lr] = sqrt(0.5) *
(Kweight[abs(Kept_States_left[ll].iK - Kept_States_right[lr].iK)] * real(exp(ln_Density_ME (Kept_States_left[ll], Kept_States_right[lr])))
+ Kweight[abs(Kept_States_left[ll].iK - PRstate.iK)] * real(exp(ln_Density_ME (Kept_States_left[ll], PRstate))));
(Kweight[abs(Kept_States_left[ll].iK - Kept_States_right[lr].iK)]
* real(exp(ln_Density_ME (Kept_States_left[ll], Kept_States_right[lr])))
+ Kweight[abs(Kept_States_left[ll].iK - PRstate.iK)]
* real(exp(ln_Density_ME (Kept_States_left[ll], PRstate))));
// We don't do anything with block 2, we don't even assume it's been allocated.
}
else if (block_option == 2) {
DME_block_1[ll* block_row_length + lr] = sqrt(0.5) *
Kweight[abs(Kept_States_left[ll].iK - Kept_States_right[lr].iK)] * real(exp(ln_Density_ME (Kept_States_left[ll], Kept_States_right[lr])));
Kweight[abs(Kept_States_left[ll].iK - Kept_States_right[lr].iK)]
* real(exp(ln_Density_ME (Kept_States_left[ll], Kept_States_right[lr])));
DME_block_2[ll* block_row_length + lr] = sqrt(0.5) *
Kweight[abs(Kept_States_left[ll].iK - PRstate.iK)] * real(exp(ln_Density_ME (Kept_States_left[ll], PRstate)));
Kweight[abs(Kept_States_left[ll].iK - PRstate.iK)]
* real(exp(ln_Density_ME (Kept_States_left[ll], PRstate)));
}
}
@ -212,15 +228,19 @@ namespace ABACUS {
if (block_option == 1) {
DME_block_1[ll* block_row_length + lr] = sqrt(0.5) *
(Kweight[abs(Kept_States_left[ll].iK - Kept_States_right[lr].iK)] * real(exp(ln_Density_ME (Kept_States_left[ll], Kept_States_right[lr])))
+ Kweight[abs(PLstate.iK - Kept_States_right[lr].iK)] * real(exp(ln_Density_ME (PLstate, Kept_States_right[lr]))));
(Kweight[abs(Kept_States_left[ll].iK - Kept_States_right[lr].iK)]
* real(exp(ln_Density_ME (Kept_States_left[ll], Kept_States_right[lr])))
+ Kweight[abs(PLstate.iK - Kept_States_right[lr].iK)]
* real(exp(ln_Density_ME (PLstate, Kept_States_right[lr]))));
// We don't do anything with block 2, we don't even assume it's been allocated.
}
else if (block_option == 2) {
DME_block_1[ll* block_row_length + lr] = sqrt(0.5) *
Kweight[abs(Kept_States_left[ll].iK - Kept_States_right[lr].iK)] * real(exp(ln_Density_ME (Kept_States_left[ll], Kept_States_right[lr])));
Kweight[abs(Kept_States_left[ll].iK - Kept_States_right[lr].iK)]
* real(exp(ln_Density_ME (Kept_States_left[ll], Kept_States_right[lr])));
DME_block_2[ll* block_row_length + lr] = sqrt(0.5) *
Kweight[abs(PLstate.iK - Kept_States_right[lr].iK)] * real(exp(ln_Density_ME (PLstate, Kept_States_right[lr])));
Kweight[abs(PLstate.iK - Kept_States_right[lr].iK)]
* real(exp(ln_Density_ME (PLstate, Kept_States_right[lr])));
}
}
@ -229,16 +249,13 @@ namespace ABACUS {
else {
DME_block_1[ll* block_row_length + lr] = 0.0;
if (symmetric_states && block_option == 2) DME_block_2[ll* block_row_length + lr] = 0.0; // condition, to prevent segfault if DME_block_2 not allocated.
// condition, to prevent segfault if DME_block_2 not allocated.
if (symmetric_states && block_option == 2) DME_block_2[ll* block_row_length + lr] = 0.0;
}
//cout << ll << "\t" << lr << "\t" << DME_block[ll* block_row_length + lr] << endl;
} // for lr
} // for ll
return;
}
} // namespace ABACUS

2
src/NRG/NRG_K_Weight_integrand.cc
View File

@ -43,6 +43,4 @@ namespace ABACUS {
return(value);
}
} // namespace ABACUS

125
src/NRG/NRG_State_Selector.cc
View File

@ -22,12 +22,8 @@ namespace ABACUS {
DP Estimate_Contribution_of_Single_ph_Annihilation_Path_to_2nd_Order_PT (LiebLin_Bethe_State& TopState,
LiebLin_Bethe_State& GroundState,
//Vect_DP Weight_integral)
Vect<complex <DP> >& FT_of_potential)
{
//cout << TopState.label << "\t" << GroundState.label << endl;
//cout << TopState.lambdaoc << endl;
DP contrib_estimate = 0.0;
// Define OriginIx2 for labelling:
@ -49,8 +45,6 @@ namespace ABACUS {
int nr_cont = 0;
// Add first-order PT contribution, and 2nd order from ground state (V_{00} == 1)
//contrib_estimate += Weight_integral[Weight_integral.size()/2 + (TopState.iK - GroundState.iK)]
//* (densityME/(GroundState.E - TopState.E)) * (1.0 - (GroundState.N/GroundState.L)/(GroundState.E - TopState.E));
contrib_estimate += abs(FT_of_potential[FT_of_potential.size()/2 + (TopState.iK - GroundState.iK)]
* (densityME/(GroundState.E - TopState.E))
* (1.0 - (GroundState.N/GroundState.L)/(GroundState.E - TopState.E)));
@ -58,10 +52,6 @@ namespace ABACUS {
nr_cont++;
// Add second order PT contribution coming from TopState:
//contrib_estimate += Weight_integral[Weight_integral.size()/2 + 0]
//* Weight_integral[Weight_integral.size()/2 + (TopState.iK - GroundState.iK)]
//* 1.0 * densityME * (GroundState.N/GroundState.L) // 1.0 is V_{TopState, TopState}
///((GroundState.E - TopState.E) * (GroundState.E - TopState.E));
contrib_estimate += abs(FT_of_potential[FT_of_potential.size()/2 + 0]
* FT_of_potential[FT_of_potential.size()/2 + (TopState.iK - GroundState.iK)]
* 1.0 * densityME * (GroundState.N/GroundState.L) // 1.0 is V_{TopState, TopState}
@ -69,32 +59,20 @@ namespace ABACUS {
nr_cont++;
//cout << "Here b" << endl;
// Now add 2nd order terms coming from single particle-hole annihilation paths:
// this is only to be included for states with at least 4 excitations (2 ph pairs)
if (nphpairs >= 2) {
for (int ipart = 0; ipart < nphpairs; ++ipart) {
for (int ihole = 0; ihole < nphpairs; ++ihole) {
LiebLin_Bethe_State DescendedState = TopState;
//cout << "Here 2a" << "\tipart " << ipart << "\tihole " << ihole << " out of " << nphpairs << " nphpairs, label " << TopState.label << endl;
//cout << "TopState.Ix2 " << TopState.Ix2 << endl;
//cout << "DescendedIx2 " << DescendedState.Ix2 << endl;
DescendedState.Annihilate_ph_pair(ipart, ihole, OriginIx2);
DescendedState.Compute_All(true);
//cout << "DescendedIx2 " << DescendedState.Ix2 << endl;
DP densityME_top_desc = real(exp(ln_Density_ME (TopState, DescendedState)));
DP densityME_desc_ground = real(exp(ln_Density_ME (DescendedState, GroundState)));
//contrib_estimate += Weight_integral[Weight_integral.size()/2 + (TopState.iK - DescendedState.iK)]
//* Weight_integral[Weight_integral.size()/2 + (DescendedState.iK - GroundState.iK)]
//* densityME_top_desc * densityME_desc_ground
///((GroundState.E - TopState.E) * (GroundState.E - DescendedState.E));
// if intermediate state has momentum within allowable window, OK, otherwise discard contribution:
if (abs(TopState.iK - DescendedState.iK) < FT_of_potential.size()/2 &&
abs(DescendedState.iK - GroundState.iK) < FT_of_potential.size()/2) {
@ -112,21 +90,12 @@ namespace ABACUS {
for (int ihole2 = ihole; ihole2 < nphpairs - 1; ++ihole2) {
LiebLin_Bethe_State DescendedState2 = DescendedState;
//cout << "Here 3a" << "\tipart2 " << ipart2 << "\tihole2 " << ihole2 << endl;
//cout << DescendedState2.Ix2 << endl;
DescendedState2.Annihilate_ph_pair(ipart2, ihole2, OriginIx2);
DescendedState2.Compute_All(true);
//cout << DescendedState2.Ix2 << endl;
//cout << DescendedState2.lambdaoc << endl;
DP densityME_top_desc2 = real(exp(ln_Density_ME (TopState, DescendedState2)));
DP densityME_desc2_ground = real(exp(ln_Density_ME (DescendedState2, GroundState)));
//contrib_estimate += Weight_integral[Weight_integral.size()/2 + (TopState.iK - DescendedState2.iK)]
//* Weight_integral[Weight_integral.size()/2 + (DescendedState2.iK - GroundState.iK)]
//* densityME_top_desc2 * densityME_desc2_ground
///((GroundState.E - TopState.E) * (GroundState.E - DescendedState2.E));
// if intermediate state has momentum within allowable window, OK, otherwise discard contribution:
if (abs(TopState.iK - DescendedState2.iK) < FT_of_potential.size()/2 &&
abs(DescendedState2.iK - GroundState.iK) < FT_of_potential.size()/2) {
@ -144,26 +113,19 @@ namespace ABACUS {
for (int ihole3 = ihole2; ihole3 < nphpairs - 2; ++ihole3) {
LiebLin_Bethe_State DescendedState3 = DescendedState2;
//cout << "Here 4a" << "\tipart3 " << ipart3 << "\tihole3 " << ihole3 << endl;
DescendedState3.Annihilate_ph_pair(ipart3, ihole3, OriginIx2);
//cout << DescendedState3.Ix2 << endl;
DescendedState3.Compute_All(true);
//cout << DescendedState3.Ix2 << endl;
DP densityME_top_desc3 = real(exp(ln_Density_ME (TopState, DescendedState3)));
DP densityME_desc3_ground = real(exp(ln_Density_ME (DescendedState3, GroundState)));
//contrib_estimate += Weight_integral[Weight_integral.size()/2 + (TopState.iK - DescendedState3.iK)]
//* Weight_integral[Weight_integral.size()/2 + (DescendedState3.iK - GroundState.iK)]
//* densityME_top_desc3 * densityME_desc3_ground
///((GroundState.E - TopState.E) * (GroundState.E - DescendedState3.E));
// if intermediate state has momentum within allowable window, OK, otherwise discard contribution:
if (abs(TopState.iK - DescendedState3.iK) < FT_of_potential.size()/2 &&
abs(DescendedState3.iK - GroundState.iK) < FT_of_potential.size()/2) {
contrib_estimate += abs(FT_of_potential[FT_of_potential.size()/2 + (TopState.iK - DescendedState3.iK)]
* FT_of_potential[FT_of_potential.size()/2 + (DescendedState3.iK - GroundState.iK)]
* FT_of_potential[FT_of_potential.size()/2
+ (DescendedState3.iK - GroundState.iK)]
* densityME_top_desc3 * densityME_desc3_ground
/((GroundState.E - TopState.E) * (GroundState.E - DescendedState3.E)));
@ -181,34 +143,12 @@ namespace ABACUS {
} // for ipart
} // if nphpairs >= 2
//cout << "Here b" << endl;
//cout << "type_id " << TopState.type_id << "\tid " << TopState.id << "\tcontrib_est = " << contrib_estimate << "\tnr_cont = " << nr_cont << endl;
return(contrib_estimate);
}
/*
DP Estimate_Contribution_of_Base_to_2nd_Order_PT (LiebLin_Bethe_State& ScanState, LiebLin_Bethe_State& GroundState,
Vect_DP Weight_integral, LiebLin_States_and_Density_ME_of_Base& StatesBase)
{
// This function calculates the second-order perturbation theory contribution to
// state ScanState coming from states of base defined in StatesBase.
DP sum_contrib = 0.0;
for (int i = 0; i <= StatesBase.maxid; ++i)
sum_contrib += Weight_integral[Weight_integral.size()/2 + (ScanState.iK - StatesBase.State[i].iK)]
* Weight_integral[Weight_integral.size()/2 + (StatesBase.State[i].iK - GroundState.iK)]
* real(exp(ln_Density_ME (ScanState, StatesBase.State[i]))) * StatesBase.densityME[i]
/((GroundState.E - StatesBase.State[i].E) * (GroundState.E - ScanState.E));
// The strange vector size is so that iK == 0 corresponds to index size/2, as per convention
return(sum_contrib);
}
*/
void Select_States_for_NRG (DP c_int, DP L, int N, int iKmin, int iKmax, int Nstates_required, bool symmetric_states, int iKmod,
//int weighing_option, DP (*weight_integrand_fn) (Vect_DP), Vect_DP& args_to_weight_integrand)
int weighing_option, Vect<complex <DP> >& FT_of_potential)
void Select_States_for_NRG (DP c_int, DP L, int N, int iKmin, int iKmax, int Nstates_required,
bool symmetric_states, int iKmod, int weighing_option, Vect<complex <DP> >& FT_of_potential)
{
// This function reads an existing partition function file and determines whether
// each state is to be included in NRG by applying an energy, momentum and form factor criterion.
@ -218,7 +158,6 @@ namespace ABACUS {
// weighing_option == 1: ordering according to perturbation theory in single p-h annihilation path
// weighing_option == 2: same as 1, but output of list is ordered in weight
stringstream filenameprefix;
Data_File_Name (filenameprefix, 'Z', c_int, L, N, iKmin, iKmax, 0.0, 0.0, "");
string prefix = filenameprefix.str();
@ -250,21 +189,10 @@ namespace ABACUS {
NRG_outfile.open(NRG_Cstr);
if (NRG_outfile.fail()) ABACUSerror("Could not open NRG_outfile... ");
//NRG_outfile.setf(ios::scientific);
NRG_outfile.precision(16);
// Read the whole data file:
/*
// estimate its size:
struct stat statbuf;
stat (RAW_Cstr, &statbuf);
int filesize = statbuf.st_size;
// Determine the number of entries approximately
int entry_size = 1* sizeof(double) + 2*sizeof(int) + 3* sizeof(long long int);
int estimate_nr_entries = filesize/entry_size;
*/
// Count the number of entries in raw file:
int estimate_nr_entries = 0;
@ -273,13 +201,10 @@ namespace ABACUS {
getline(infile, line);
estimate_nr_entries++;
}
const int MAXDATA = estimate_nr_entries;
//cout << "estimate_nr_entries: " << estimate_nr_entries << endl;
DP* E = new DP[MAXDATA];
int* iK = new int[MAXDATA];
//int* conv = new int[MAXDATA];
string* label = new string[MAXDATA];
bool* sym = new bool[MAXDATA];
@ -291,12 +216,10 @@ namespace ABACUS {
while (((infile.peek()) != EOF) && (Ndata < MAXDATA)) {
infile >> E[Ndata];
infile >> iK[Ndata];
//infile >> conv[Ndata];
infile >> label[Ndata];
Ndata++;
}
//cout << "input " << Ndata << " data lines." << endl;
infile.close();
// Define the ground state:
@ -313,30 +236,8 @@ namespace ABACUS {
// To cover negative and positive momenta (in case potential is not symmetric),
// we define the Weight_integral vector entry with index size/2 as corresponding to iK == 0.
/*
// DEPRECATED 25/1/2012: from now on (ABACUS++T_8 onwards), use FT of potential as argument to this function.
Vect_DP Weight_integral (0.0, 4* (iKmax - iKmin)); // we give a large window
//Vect_DP args(0.0, 2);
DP req_rel_prec = 1.0e-6;
DP req_abs_prec = 1.0e-6;
int max_nr_pts = 10000;
for (int iK = -Weight_integral.size()/2; iK < Weight_integral.size()/2; ++iK) {
args_to_weight_integrand[1] = DP(iK);
Integral_result answer = Integrate_optimal (weight_integrand_fn, args_to_weight_integrand,
0, 0.0, 0.5, req_rel_prec, req_abs_prec, max_nr_pts);
Weight_integral[Weight_integral.size()/2 + iK] = answer.integ_est;
}
*/
// Calculate weight of states using selection criterion function
//DP absdensityME = 0.0;
DP* weight = new DP[Ndata];
// For weighing using 2nd order PT, we only trace over 2 excitation states (1 p-h pair)
@ -344,8 +245,6 @@ namespace ABACUS {
for (int i = 0; i < Ndata; ++i) {
//cout << i << " out of " << Ndata << "\tlabel = " << label[i] << endl;
if (abs(iK[i]) % iKmod != 0) { // if iK not a multiple of iKmod: give stupidly high weight.
weight[i] = 1.0e+100;
sym[i] = false; // doesn't matter
@ -359,16 +258,11 @@ namespace ABACUS {
if (weighing_option == 1 || weighing_option == 2) ScanState.Compute_All(true);
sym[i] = ScanState.Check_Symmetry();
//cout << "Setting state " << i << "\t to label " << label[i] << "\tsym: " << sym[i] << endl;
// WEIGHING THE STATES: **********************************************
State_Label_Data currentdata = Read_State_Label (label[i], OriginIx2);
if (currentdata.nexc[0] == 0) weight[i] = 0.0;
else if (symmetric_states && iK[i] < 0 || iK[i] < iKmin || iK[i] > iKmax) weight[i] = 1.0e+100;
//else if (symmetric_states && iK[i] == 0 && !ScanState.Check_Symmetry()) {
else if (symmetric_states && iK[i] == 0 && !sym[i]) {
// This state is at zero momentum but not symmetric. we keep it only if
// the first non-symmetric pair of quantum numbers is right-weighted:
@ -378,7 +272,6 @@ namespace ABACUS {
if (weighing_option == 0) weight[i] = E[i];
else if (weighing_option == 1 || weighing_option == 2)
weight[i] = 1.0/(1.0e-100 + fabs(Estimate_Contribution_of_Single_ph_Annihilation_Path_to_2nd_Order_PT
//(ScanState, GroundState, Weight_integral)));
(ScanState, GroundState, FT_of_potential)));
}
else weight[i] = 1.0e+100;
@ -388,10 +281,8 @@ namespace ABACUS {
if (weighing_option == 0) weight[i] = E[i];
else if (weighing_option == 1 || weighing_option == 2)
weight[i] = 1.0/(1.0e-100 + fabs(Estimate_Contribution_of_Single_ph_Annihilation_Path_to_2nd_Order_PT
//(ScanState, GroundState, Weight_integral)));
(ScanState, GroundState, FT_of_potential)));
}
//cout << i << " out of " << Ndata << "\tlabel = " << label[i] << "\tweight = " << weight[i] << endl;
}
} // for i
@ -402,18 +293,15 @@ namespace ABACUS {
QuickSort(weight, index, 0, Ndata - 1);
// Select states by increasing weight, with a max of Nstates_required entries
DP* E_kept = new DP[Nstates_required];
int* iK_kept = new int[Nstates_required];
//int* conv_kept = new int[Nstates_required];
string* label_kept = new string[Nstates_required];
bool* sym_kept = new bool[Nstates_required];
DP* weight_kept = new DP[Nstates_required];
// Copy selected states into new vectors:
for (int i = 0; i < ABACUS::min(Ndata, Nstates_required); ++i) {
E_kept[i] = E[index[i] ];
iK_kept[i] = iK[index[i] ];
@ -425,7 +313,6 @@ namespace ABACUS {
// If needed, order selected states by increasing energy:
int* index_kept = new int[Nstates_required];
for (int i = 0; i < Nstates_required; ++i) index_kept[i] = i;
@ -436,19 +323,16 @@ namespace ABACUS {
for (int i = 0; i < Nstates_required; ++i) {
if (i > 0) NRG_outfile << endl;
NRG_outfile << i << "\t" << E_kept[i] << "\t" << iK_kept[index_kept[i] ]
//<< "\t" << conv_kept[index_kept[i] ]
<< "\t" << label_kept[index_kept[i] ]
<< "\t" << sym_kept[index_kept[i] ] << "\t" << weight_kept[index_kept[i] ];
}
delete[] E;
delete[] iK;
//delete[] conv;
delete[] label;
delete[] sym;
delete[] E_kept;
delete[] iK_kept;
//delete[] conv_kept;
delete[] label_kept;
delete[] sym_kept;
delete[] weight;
@ -458,5 +342,4 @@ namespace ABACUS {
return;
}
} // namespace ABACUS

433
src/ODSLF/ODSLF.cc
View File

@ -37,7 +37,8 @@ namespace ABACUS {
}
ODSLF_Base::ODSLF_Base (const Heis_Chain& RefChain, int M)
: Mdown(M), Nrap(Vect<int>(RefChain.Nstrings)), Nraptot(0), Ix2_infty(Vect<DP>(RefChain.Nstrings)), Ix2_max(Vect<int>(RefChain.Nstrings))
: Mdown(M), Nrap(Vect<int>(RefChain.Nstrings)), Nraptot(0), Ix2_infty(Vect<DP>(RefChain.Nstrings)),
Ix2_max(Vect<int>(RefChain.Nstrings))
{
for (int i = 0; i < RefChain.Nstrings; ++i) Nrap[i] = 0;
Nrap[0] = M;
@ -55,15 +56,14 @@ namespace ABACUS {
}
ODSLF_Base::ODSLF_Base (const Heis_Chain& RefChain, const Vect<int>& Nrapidities)
: Mdown(0), Nrap(Nrapidities), Nraptot(0), Ix2_infty(Vect<DP>(RefChain.Nstrings)), Ix2_max(Vect<int>(RefChain.Nstrings)),
id (0LL)
: Mdown(0), Nrap(Nrapidities), Nraptot(0), Ix2_infty(Vect<DP>(RefChain.Nstrings)),
Ix2_max(Vect<int>(RefChain.Nstrings)), id (0LL)
{
// Check consistency of Nrapidities vector with RefChain
//if (RefChain.Nstrings != Nrapidities.size()) cout << "error: Nstrings = " << RefChain.Nstrings << "\tNrap.size = " << Nrapidities.size() << endl;
if (RefChain.Nstrings != Nrapidities.size()) ABACUSerror("Incompatible Nrapidities vector used in ODSLF_Base constructor.");
if (RefChain.Nstrings != Nrapidities.size())
ABACUSerror("Incompatible Nrapidities vector used in ODSLF_Base constructor.");
int Mcheck = 0;
for (int i = 0; i < RefChain.Nstrings; ++i) Mcheck += RefChain.Str_L[i] * Nrap[i];
@ -81,14 +81,13 @@ namespace ABACUS {
}
// Now compute the Ix2_infty numbers
(*this).Compute_Ix2_limits(RefChain);
}
ODSLF_Base::ODSLF_Base (const Heis_Chain& RefChain, long long int id_ref)
: Mdown(0), Nrap(Vect<int>(RefChain.Nstrings)), Nraptot(0), Ix2_infty(Vect<DP>(RefChain.Nstrings)), Ix2_max(Vect<int>(RefChain.Nstrings)),
id (id_ref)
: Mdown(0), Nrap(Vect<int>(RefChain.Nstrings)), Nraptot(0), Ix2_infty(Vect<DP>(RefChain.Nstrings)),
Ix2_max(Vect<int>(RefChain.Nstrings)), id (id_ref)
{
// Build Nrapidities vector from id_ref
@ -101,14 +100,6 @@ namespace ABACUS {
}
Nrap[0] = id_eff;
//id = id_ref;
//cout << "In ODSLF_Base constructor: id_ref = " << id_ref << " and Nrapidities = " << Nrap << endl;
// Check consistency of Nrapidities vector with RefChain
//if (RefChain.Nstrings != Nrap.size()) ABACUSerror("Incompatible Nrapidities vector used in ODSLFBase constructor.");
int Mcheck = 0;
for (int i = 0; i < RefChain.Nstrings; ++i) Mcheck += RefChain.Str_L[i] * Nrap[i];
Mdown = Mcheck;
@ -117,7 +108,6 @@ namespace ABACUS {
for (int i = 0; i < RefChain.Nstrings; ++i) Nraptot += Nrap[i];
// Now compute the Ix2_infty numbers
(*this).Compute_Ix2_limits(RefChain);
}
@ -167,7 +157,8 @@ namespace ABACUS {
sum2 = 0.0;
sum2 += (RefChain.Str_L[j] == RefChain.Str_L[k]) ? 0.0 : 2.0 * atan(tan(0.25 * PI * (1.0 + RefChain.par[j] * RefChain.par[k])
sum2 += (RefChain.Str_L[j] == RefChain.Str_L[k]) ? 0.0 :
2.0 * atan(tan(0.25 * PI * (1.0 + RefChain.par[j] * RefChain.par[k])
- 0.5 * fabs(RefChain.Str_L[j] - RefChain.Str_L[k]) * RefChain.anis));
sum2 += 2.0 * atan(tan(0.25 * PI * (1.0 + RefChain.par[j] * RefChain.par[k])
- 0.5 * (RefChain.Str_L[j] + RefChain.Str_L[k]) * RefChain.anis));
@ -179,7 +170,8 @@ namespace ABACUS {
sum1 += (Nrap[k] - ((j == k) ? 1 : 0)) * sum2;
}
Ix2_infty[j] = (1.0/PI) * fabs(RefChain.Nsites * 2.0 * atan(tan(0.25 * PI * (1.0 + RefChain.par[j])
Ix2_infty[j] = (1.0/PI) * fabs(RefChain.Nsites * 2.0
* atan(tan(0.25 * PI * (1.0 + RefChain.par[j])
- 0.5 * RefChain.Str_L[j] * RefChain.anis)) - sum1);
} // The Ix2_infty are now set.
@ -192,17 +184,12 @@ namespace ABACUS {
// Reject formally infinite rapidities (i.e. if Delta is root of unity)
//cout << "Ix2_infty - Ix2_max = " << Ix2_infty[j] - Ix2_max[j] << endl;
//if (Ix2_infty[j] == Ix2_max[j]) {
//Ix2_max[j] -= 2;
//}
// If Nrap is even, Ix2_max must be odd. If odd, then even.
//if (!((Nrap[j] + Ix2_max[j]) % 2)) Ix2_max[j] -= 1; DEACTIVATED FOR ODSLF !
// For ODSLF: parity of quantum numbers is complicated:
// if (N-1 + M_j + (M + 1) n_j + (1 - nu_j) N/2) is even, q# are integers, so Ix2_max must be even (conversely, if odd, then odd).
if ((Ix2_max[j] + RefChain.Nsites - 1 + Nrap[j] + (Nraptot + 1) * RefChain.Str_L[j] + (RefChain.par[j] == 1 ? 0 : RefChain.Nsites)) % 2) Ix2_max[j] -= 1;
// if (N-1 + M_j + (M + 1) n_j + (1 - nu_j) N/2) is even, q# are integers,
// so Ix2_max must be even (conversely, if odd, then odd).
if ((Ix2_max[j] + RefChain.Nsites - 1 + Nrap[j] + (Nraptot + 1) * RefChain.Str_L[j]
+ (RefChain.par[j] == 1 ? 0 : RefChain.Nsites)) % 2) Ix2_max[j] -= 1;
while (Ix2_max[j] > RefChain.Nsites) {
Ix2_max[j] -= 2;
@ -225,7 +212,6 @@ namespace ABACUS {
sum1 += Nrap[k] * (2 * ABACUS::min(RefChain.Str_L[j], RefChain.Str_L[k]) - ((j == k) ? 1 : 0));
}
//Ix2_infty[j] = (RefChain.Nsites - 1.0 + 2.0 * RefChain.Str_L[j] - sum1);
Ix2_infty[j] = (RefChain.Nsites + 1.0 - sum1); // to get counting right...
} // The Ix2_infty are now set.
@ -292,16 +278,14 @@ namespace ABACUS {
Ix2_max[j] -= 2;
}
// Fudge, for strings:
//if (RefChain.Str_L[j] >= 1) Ix2_max[j] += 2;
//Ix2_max[j] += 2;
}
} // if XXZ_gpd
}
void ODSLF_Base::Scan_for_Possible_Types (Vect<long long int>& possible_type_id, int& nfound, int base_level, Vect<int>& Nexcitations)
void ODSLF_Base::Scan_for_Possible_Types (Vect<long long int>& possible_type_id, int& nfound,
int base_level, Vect<int>& Nexcitations)
{
if (base_level == 0) {
// We set all sectors 0, 1, 2, 3
@ -335,8 +319,7 @@ namespace ABACUS {
// We scan over the possible distributions of the excitations on the L and R sides:
// Count the number of slots available on R:
//int Nexc_R_max = Ix2_max[base_level]/2 + 1;
int Nexc_R_max = (Ix2_max[base_level] + 2)/2; // bug in earlier line: if Ix2_max < 0, must have Nexc_R_max == 0, not 1.
int Nexc_R_max = (Ix2_max[base_level] + 2)/2;
int Nexc_L_max = (Ix2_max[base_level] + 1)/2;
for (int Nexcleft = 0; Nexcleft <= Nrap[base_level]; ++Nexcleft)
if (Nexcleft <= Nexc_L_max && Nrap[base_level] - Nexcleft <= Nexc_R_max) {
@ -376,44 +359,22 @@ namespace ABACUS {
ODSLF_Ix2_Config::ODSLF_Ix2_Config (const Heis_Chain& RefChain, int M)
: Nstrings(1), Nrap(Vect<int>(M,1)), Nraptot(M), Ix2(new int*[1]) // single type of string here
//: Ix2 (Vect<Vect<int> > (1))
{
Ix2[0] = new int[M];
//Ix2[0] = Vect<int> (M);
for (int j = 0; j < M; ++j) {
Ix2[0][j] = -(M - 1) + 2*j;
/*
cout << j << "\t" << Ix2[0][j] << endl;
cout << "Here 1" << endl;
cout << RefChain.Str_L[0] << endl;
// ODSLF: put back correct parity of quantum nr:
cout << "M = " << M << endl;
cout << Ix2[0][j] << endl;
cout << Nrap[0] << endl;
cout << Nraptot << endl;
cout << RefChain.Str_L[0] << endl;
cout << RefChain.par[0] << endl;
cout << RefChain.Nsites << endl;
if ((Ix2[0][j] + RefChain.Nsites - 1 + Nrap[0] + (Nraptot + 1) * RefChain.Str_L[0] + (RefChain.par[0] == 1 ? 0 : RefChain.Nsites)) % 2) Ix2[0][j] -= 1;
cout << "Here 2" << endl;
*/
// Use simplification: Nrap[0] = M = Nraptot, Str_L[0] = 1, par = 1, so
if ((Ix2[0][j] + RefChain.Nsites) % 2) Ix2[0][j] -= 1;
//OBSOLETE: 1 - (M % 2); // last term: correction for ODSLF
}
}
ODSLF_Ix2_Config::ODSLF_Ix2_Config (const Heis_Chain& RefChain, const ODSLF_Base& base)
: Nstrings(RefChain.Nstrings), Nrap(base.Nrap), Nraptot(base.Nraptot), Ix2(new int*[RefChain.Nstrings])
//: Ix2 (Vect<Vect<int> > (RefChain.Nstrings))
{
//Ix2[0] = new int[base.Mdown];
Ix2[0] = new int[base.Nraptot];
for (int i = 1; i < RefChain.Nstrings; ++i) Ix2[i] = Ix2[i-1] + base[i-1];
//for (int i = 0; i < RefChain.Nstrings; ++i) Ix2[i] = Vect<int> (base[i]);
// And now for the other string types...
for (int i = 0; i < RefChain.Nstrings; ++i) {
for (int j = 0; j < base[i]; ++j) Ix2[i][j] = -(base[i] - 1) + 2*j + 1 - (base[i] % 2);
@ -424,30 +385,11 @@ namespace ABACUS {
for (int j = 0; j < base[i]; ++j)
if ((Ix2[i][j] + RefChain.Nsites - 1 + base.Nrap[i] + (base.Nraptot + 1) * RefChain.Str_L[i] + (RefChain.par[i] == 1 ? 0 : RefChain.Nsites)) % 2)
Ix2[i][j] -= 1;
/*
// New meaning of negative parity:
for (int j = 1; j < base.Nrap.size(); ++j)
if (RefChain.par[j] == -1) // we `invert' the meaning of the quantum numbers
for (int alpha = 0; alpha < base[j]; ++alpha) {
if (Ix2[j][alpha] >= 0) Ix2[j][alpha] -= 2*(base.Ix2_max[j]/2 + 1);
else Ix2[j][alpha] += 2*(base.Ix2_max[j]/2 + 1);
}
*/
}
ODSLF_Ix2_Config& ODSLF_Ix2_Config::operator= (const ODSLF_Ix2_Config& RefConfig)
{
if (this != &RefConfig) {
/*
Ix2 = Vect<Vect<int> > (RefConfig.Ix2.size());
for (int i = 0; i < RefConfig.Ix2.size(); ++i) {
Ix2[i] = Vect<int> (RefConfig.Ix2[i].size());
for (int j = 0; j < RefConfig.Ix2[i].size(); ++j)
Ix2[i][j] = RefConfig.Ix2[i][j];
}
*/
Nstrings = RefConfig.Nstrings;
Nrap = RefConfig.Nrap;
Nraptot = RefConfig.Nraptot;
@ -494,22 +436,17 @@ namespace ABACUS {
ODSLF_Lambda::ODSLF_Lambda (const Heis_Chain& RefChain, int M)
: Nstrings(1), Nrap(Vect<int>(M,1)), Nraptot(M), lambda(new DP*[1]) // single type of string here
//: lambda(Vect<Vect<DP> > (1))
{
lambda[0] = new DP[M];
//lambda[0] = Vect<DP> (M);
for (int j = 0; j < M; ++j) lambda[0][j] = 0.0;
}
ODSLF_Lambda::ODSLF_Lambda (const Heis_Chain& RefChain, const ODSLF_Base& base)
: Nstrings(RefChain.Nstrings), Nrap(base.Nrap), Nraptot(base.Nraptot), lambda(new DP*[RefChain.Nstrings])
//: lambda(Vect<Vect<DP> > (RefChain.Nstrings))
{
//lambda[0] = new DP[base.Mdown];
lambda[0] = new DP[base.Nraptot];
for (int i = 1; i < RefChain.Nstrings; ++i) lambda[i] = lambda[i-1] + base[i-1];
//for (int i = 0; i < RefChain.Nstrings; ++i) lambda[i] = Vect<DP> (base[i]);
for (int i = 0; i < RefChain.Nstrings; ++i) {
for (int j = 0; j < base[i]; ++j) lambda[i][j] = 0.0;
@ -519,15 +456,6 @@ namespace ABACUS {
ODSLF_Lambda& ODSLF_Lambda::operator= (const ODSLF_Lambda& RefLambda)
{
if (this != &RefLambda) {
//lambda = RefLambda.lambda;
/*
lambda = Vect<Vect<DP> > (RefLambda.lambda.size());
for (int i = 0; i < RefLambda.lambda.size(); ++i) {
lambda[i] = Vect<DP> (RefLambda.lambda[i].size());
for (int j = 0; j < RefLambda.lambda[i].size(); ++j) lambda[i][j] = RefLambda.lambda[i][j];
}
*/
Nstrings = RefLambda.Nstrings;
Nrap = RefLambda.Nrap;
Nraptot = RefLambda.Nraptot;
@ -586,15 +514,16 @@ namespace ABACUS {
(*this) = ODSLF_Ix2_Offsets(RefBase, nparticles);
}
ODSLF_Ix2_Offsets::ODSLF_Ix2_Offsets (const ODSLF_Base& RefBase, Vect<int> nparticles) // sets all tableaux to empty ones, with nparticles at each level
: base(RefBase), Tableau(Vect<Young_Tableau> (2 * base.Nrap.size() + 2)), type_id(Ix2_Offsets_type_id (nparticles)), id(0LL), maxid(0LL)
ODSLF_Ix2_Offsets::ODSLF_Ix2_Offsets (const ODSLF_Base& RefBase, Vect<int> nparticles)
// sets all tableaux to empty ones, with nparticles at each level
: base(RefBase), Tableau(Vect<Young_Tableau> (2 * base.Nrap.size() + 2)),
type_id(Ix2_Offsets_type_id (nparticles)), id(0LL), maxid(0LL)
{
// Checks on nparticles vector:
if (nparticles.size() != 2 * base.Nrap.size() + 2) ABACUSerror("Wrong nparticles.size in Ix2_Offsets constructor.");
if (nparticles.size() != 2 * base.Nrap.size() + 2)
ABACUSerror("Wrong nparticles.size in Ix2_Offsets constructor.");
//if (base.Nrap[0] != (nparticles[3] + nparticles[2] + base.Mdown - nparticles[0] - nparticles[1])) ABACUSerror("Wrong Nrap[0] in Ix2_Offsets constructor.");
if (nparticles[3] + nparticles[2] != nparticles[0] + nparticles[1]) {
cout << nparticles[0] << "\t" << nparticles[1] << "\t" << nparticles[2] << "\t" << nparticles[3] << endl;
ABACUSerror("Wrong Npar[0-3] in Ix2_Offsets constructor.");
@ -602,32 +531,39 @@ namespace ABACUS {
for (int base_level = 1; base_level < base.Nrap.size(); ++ base_level)
if (base.Nrap[base_level] != nparticles[2*base_level + 2] + nparticles[2*base_level + 3]) {
cout << base_level << "\t" << base.Nrap[base_level] << "\t" << nparticles[2*base_level + 2] << "\t" << nparticles[2*base_level + 3] << endl;
cout << base_level << "\t" << base.Nrap[base_level] << "\t" << nparticles[2*base_level + 2]
<< "\t" << nparticles[2*base_level + 3] << endl;
ABACUSerror("Wrong Nrap[] in Ix2_Offsets constructor.");
}
// nparticles[0,1]: number of holes on R and L side in GS interval
if (nparticles[0] > (base.Nrap[0] + 1)/2) ABACUSerror("nparticles[0] too large in Ix2_Offsets constructor.");
if (nparticles[1] > base.Nrap[0]/2) ABACUSerror("nparticles[1] too large in Ix2_Offsets constructor.");
if (nparticles[0] > (base.Nrap[0] + 1)/2)
ABACUSerror("nparticles[0] too large in Ix2_Offsets constructor.");
if (nparticles[1] > base.Nrap[0]/2)
ABACUSerror("nparticles[1] too large in Ix2_Offsets constructor.");
// nparticles[2,3]: number of particles of type 0 on R and L side out of GS interval
if (nparticles[2] > (base.Ix2_max[0] - base.Nrap[0] + 1)/2) ABACUSerror("nparticles[2] too large in Ix2_Offsets constructor.");
if (nparticles[3] > (base.Ix2_max[0] - base.Nrap[0] + 1)/2) ABACUSerror("nparticles[3] too large in Ix2_Offsets constructor.");
if (nparticles[2] > (base.Ix2_max[0] - base.Nrap[0] + 1)/2)
ABACUSerror("nparticles[2] too large in Ix2_Offsets constructor.");
if (nparticles[3] > (base.Ix2_max[0] - base.Nrap[0] + 1)/2)
ABACUSerror("nparticles[3] too large in Ix2_Offsets constructor.");
for (int base_level = 1; base_level < base.Nrap.size(); ++ base_level)
//if ((nparticles[2*base_level + 2] > 0 && nparticles[2*base_level + 2] > (base.Ix2_max[base_level] - ((base.Nrap[base_level] + 1) % 2) + 2)/2)
if ((nparticles[2*base_level + 2] > 0 && nparticles[2*base_level + 2] > (base.Ix2_max[base_level] + 2)/2) // ODSLF modif
//|| (nparticles[2*base_level + 3] > 0 && nparticles[2*base_level + 3] > (base.Ix2_max[base_level] - (base.Nrap[base_level] % 2) - 1)/2)) {
if ((nparticles[2*base_level + 2] > 0 && nparticles[2*base_level + 2]
> (base.Ix2_max[base_level] + 2)/2) // ODSLF modif
|| (nparticles[2*base_level + 3] > 0
//&& nparticles[2*base_level + 3] > base.Ix2_max[base_level] + 1 - (base.Ix2_max[base_level] - ((base.Nrap[base_level] + 1) % 2) + 2)/2))
&& nparticles[2*base_level + 3] > (base.Ix2_max[base_level] + 1)/2)) // ODSLF modif
{
cout << base_level << "\t" << base.Ix2_max[base_level] << "\t" << base.Ix2_infty[base_level] << "\t" << nparticles[2*base_level + 2] << "\t" << (base.Ix2_max[base_level] - ((base.Nrap[base_level] + 1) % 2) + 2)/2
<< "\t" << nparticles[2*base_level + 3] << "\t" << (base.Ix2_max[base_level] - (base.Nrap[base_level] % 2) - 1)/2
<< "\t" << (nparticles[2*base_level + 2] > 0) << "\t" << (nparticles[2*base_level + 2] > (base.Ix2_max[base_level] - ((base.Nrap[base_level] + 1) % 2) + 2)/2)
//<< "\t" << (nparticles[2*base_level + 3] > 0) << "\t" << (nparticles[2*base_level + 3] > (base.Ix2_max[base_level] - (base.Nrap[base_level] % 2) - 1)/2)
cout << base_level << "\t" << base.Ix2_max[base_level] << "\t" << base.Ix2_infty[base_level]
<< "\t" << nparticles[2*base_level + 2] << "\t"
<< (base.Ix2_max[base_level] - ((base.Nrap[base_level] + 1) % 2) + 2)/2
<< "\t" << nparticles[2*base_level + 3] << "\t"
<< (base.Ix2_max[base_level] - (base.Nrap[base_level] % 2) - 1)/2
<< "\t" << (nparticles[2*base_level + 2] > 0) << "\t"
<< (nparticles[2*base_level + 2] > (base.Ix2_max[base_level] - ((base.Nrap[base_level] + 1) % 2) + 2)/2)
<< "\t" << (nparticles[2*base_level + 3] > 0) << "\t"
<< (nparticles[2*base_level + 3] > base.Ix2_max[base_level] + 1 - (base.Ix2_max[base_level] - ((base.Nrap[base_level] + 1) % 2) + 2)/2)
<< (nparticles[2*base_level + 3] > base.Ix2_max[base_level] + 1
- (base.Ix2_max[base_level] - ((base.Nrap[base_level] + 1) % 2) + 2)/2)
<< endl;
ABACUSerror("nparticles too large in Ix2_Offsets constructor.");
}
@ -644,20 +580,19 @@ namespace ABACUS {
// Tableaux of index i = 2,...: data about string type i/2-1.
for (int base_level = 1; base_level < base.Nrap.size(); ++base_level) {
Tableau[2*base_level + 2] = Young_Tableau(nparticles[2*base_level + 2],
//(base.Ix2_max[base_level] - ((base.Nrap[base_level]) % 2) + 2)/2 - nparticles[2*base_level + 2], Tableau[2]);
//(base.Ix2_max[base_level] - base.Nrap[base_level] % 2 + 2)/2 - nparticles[2*base_level + 2], Tableau[2]);
(base.Ix2_max[base_level] - ((base.Nrap[base_level] + 1) % 2))/2 + 1 - nparticles[2*base_level + 2], Tableau[2]);
Tableau[2*base_level + 3] = Young_Tableau(nparticles[2*base_level + 3],
//(base.Ix2_max[base_level] - base.Nrap[base_level] % 2)/2 - nparticles[2*base_level + 3], Tableau[3]);
(base.Ix2_max[base_level] - (base.Nrap[base_level] % 2) - 1)/2 + 1 - nparticles[2*base_level + 3], Tableau[3]);
Tableau[2*base_level + 2] =
Young_Tableau(nparticles[2*base_level + 2],
(base.Ix2_max[base_level] - ((base.Nrap[base_level] + 1) % 2))/2 + 1
- nparticles[2*base_level + 2], Tableau[2]);
Tableau[2*base_level + 3] =
Young_Tableau(nparticles[2*base_level + 3],
(base.Ix2_max[base_level] - (base.Nrap[base_level] % 2) - 1)/2 + 1
- nparticles[2*base_level + 3], Tableau[3]);
}
maxid = 1LL;
//id = Tableau[0].id;
for (int i = 0; i < nparticles.size(); ++i) {
maxid *= Tableau[i].maxid + 1LL;
//id += maxid + Tableau[i].id;
}
maxid -= 1LL;
@ -682,13 +617,14 @@ namespace ABACUS {
bool answer = true;
for (int level = 0; level < 4; ++level) { // check fundamental level only
//for (int level = 0; level < 2 * base.Nrap.size() + 2; ++level) {
// First check whether all rows which exist in both tableaux satisfy rule:
for (int tableau_level = 0; tableau_level < ABACUS::min(Tableau[level].Nrows, RefOffsets.Tableau[level].Nrows); ++tableau_level)
for (int tableau_level = 0; tableau_level
< ABACUS::min(Tableau[level].Nrows, RefOffsets.Tableau[level].Nrows); ++tableau_level)
if (Tableau[level].Row_L[tableau_level] > RefOffsets.Tableau[level].Row_L[tableau_level])
answer = false;
// Now check whether there exist extra rows violating rule:
for (int tableau_level = ABACUS::min(Tableau[level].Nrows, RefOffsets.Tableau[level].Nrows); tableau_level < Tableau[level].Nrows; ++tableau_level)
for (int tableau_level = ABACUS::min(Tableau[level].Nrows, RefOffsets.Tableau[level].Nrows);
tableau_level < Tableau[level].Nrows; ++tableau_level)
if (Tableau[level].Row_L[tableau_level] > 0) answer = false;
}
@ -702,13 +638,14 @@ namespace ABACUS {
bool answer = true;
for (int level = 0; level < 4; ++level) { // check fundamental level only
//for (int level = 0; level < 2 * base.Nrap.size() + 2; ++level) {
// First check whether all rows which exist in both tableaux satisfy rule:
for (int tableau_level = 0; tableau_level < ABACUS::min(Tableau[level].Nrows, RefOffsets.Tableau[level].Nrows); ++tableau_level)
for (int tableau_level = 0; tableau_level
< ABACUS::min(Tableau[level].Nrows, RefOffsets.Tableau[level].Nrows); ++tableau_level)
if (Tableau[level].Row_L[tableau_level] < RefOffsets.Tableau[level].Row_L[tableau_level])
answer = false;
// Now check whether there exist extra rows violating rule:
for (int tableau_level = ABACUS::min(Tableau[level].Nrows, RefOffsets.Tableau[level].Nrows); tableau_level < RefOffsets.Tableau[level].Nrows; ++tableau_level)
for (int tableau_level = ABACUS::min(Tableau[level].Nrows, RefOffsets.Tableau[level].Nrows);
tableau_level < RefOffsets.Tableau[level].Nrows; ++tableau_level)
if (RefOffsets.Tableau[level].Row_L[tableau_level] > 0) answer = false;
}
@ -721,8 +658,6 @@ namespace ABACUS {
// sub_id[0] + (total number of tableaux of type 0) * (sub_id[1] + (total number of tableaux of type 1) * (sub_id[2] + ...
// + total number of tableaux of type (2*base.Nrap.size()) * sub_id[2*base.Nrap.size() + 1]
//cout << "Called Ix2_Offsets::Set_to_id" << endl;
if (idnr > maxid) {
cout << idnr << "\t" << maxid << endl;
ABACUSerror("idnr too large in offsets.Set_to_id.");
@ -738,7 +673,6 @@ namespace ABACUS {
Vect<long long int> result_choose(2*base.Nrap.size() + 2);
for (int i = 0; i <= 2*base.Nrap.size(); ++i) {
//result_choose[i] = choose_lli(Tableau[i].Nrows + Tableau[i].Ncols, Tableau[i].Nrows);
result_choose[i] = Tableau[i].maxid + 1LL;
temp_prod *= result_choose[i];
}
@ -751,8 +685,8 @@ namespace ABACUS {
sub_id[0] = idnr_eff; // what's left goes to the bottom...
for (int i = 0; i <= 2*base.Nrap.size() + 1; ++i) {
//cout << "level = " << i << " Tableau.id = " << sub_id[i] << endl;
if ((Tableau[i].Nrows * Tableau[i].Ncols == 0) && (sub_id[i] != 0)) ABACUSerror("index too large in offset.Set_to_id.");
if ((Tableau[i].Nrows * Tableau[i].Ncols == 0) && (sub_id[i] != 0))
ABACUSerror("index too large in offset.Set_to_id.");
if (Tableau[i].id != sub_id[i]) Tableau[i].Set_to_id(sub_id[i]);
}
@ -795,16 +729,11 @@ namespace ABACUS {
if (Nboxes < 0) ABACUSerror("Can't use Nboxes < 0 in Add_Boxes_From_Lowest");
else if (Nboxes == 0) return(true); // nothing to do
//cout << "Requesting Nboxes " << Nboxes << " in " << odd_sectors << " sectors." << endl;
int Nboxes_put = 0;
int working_sector = odd_sectors;
// We start from the bottom up.
while (Nboxes_put < Nboxes && working_sector < 2*base.Nrap.size() + 2) {
//cout << "working sector " << working_sector << "\tNboxes_put " << Nboxes_put << endl;
//cout << "Tableau before put: " << Tableau[working_sector] << endl;
Nboxes_put += Tableau[working_sector].Add_Boxes_From_Lowest(Nboxes - Nboxes_put);
//cout << "Tableau after put: " << Tableau[working_sector] << endl;
working_sector += 2;
}
Compute_id();
@ -872,33 +801,21 @@ namespace ABACUS {
};
ODSLF_Bethe_State::ODSLF_Bethe_State (const ODSLF_Bethe_State& RefState) // copy constructor
//: chain(RefState.chain), base(RefState.base), offsets(RefState.offsets), Ix2(Ix2_Config(RefState.chain, RefState.base.Mdown)),
// lambda(Lambda(RefState.chain, RefState.base.Mdown)), BE(Lambda(RefState.chain, RefState.base.Mdown)),
: chain(RefState.chain), base(RefState.base), offsets(RefState.offsets), Ix2(ODSLF_Ix2_Config(RefState.chain, RefState.base)),
: chain(RefState.chain), base(RefState.base), offsets(RefState.offsets),
Ix2(ODSLF_Ix2_Config(RefState.chain, RefState.base)),
lambda(ODSLF_Lambda(RefState.chain, RefState.base)), BE(ODSLF_Lambda(RefState.chain, RefState.base)),
diffsq(RefState.diffsq), conv(RefState.conv), iter(RefState.iter), iter_Newton(RefState.iter_Newton),
E(RefState.E), iK(RefState.iK), K(RefState.K), lnnorm(RefState.lnnorm),
//id(RefState.id), maxid(RefState.maxid)
base_id(RefState.base_id), type_id(RefState.type_id), id(RefState.id), maxid(RefState.maxid),
nparticles(RefState.nparticles)
{
// copy arrays into new ones
/*
cout << "Here in Heis constructor state" << endl;
cout << "lambda " << lambda[0][0] << endl;
cout << "lambda OK" << endl;
cout << "RefConfig: " << endl << RefState.Ix2 << endl;
cout << "(*this).Ix2: " << endl << Ix2 << endl;
*/
for (int j = 0; j < RefState.chain.Nstrings; ++j) {
for (int alpha = 0; alpha < RefState.base[j]; ++j) {
Ix2[j][alpha] = RefState.Ix2[j][alpha];
lambda[j][alpha] = RefState.lambda[j][alpha];
}
}
//cout << "Heis constructor state OK" << endl;
}
ODSLF_Bethe_State::ODSLF_Bethe_State (const ODSLF_Bethe_State& RefState, long long int type_id_ref)
@ -906,72 +823,49 @@ namespace ABACUS {
Ix2(ODSLF_Ix2_Config(RefState.chain, RefState.base)), lambda(ODSLF_Lambda(RefState.chain, RefState.base)),
BE(ODSLF_Lambda(RefState.chain, RefState.base)), diffsq(1.0), conv(0), iter(0), iter_Newton(0),
E(0.0), iK(0), K(0.0), lnnorm(-100.0),
//id(0LL), maxid(0LL)
base_id(RefState.base_id), type_id(0LL), id(0LL), maxid(offsets.maxid), nparticles(0)
{
//cout << "Here in Heis constructor state type_id" << endl;
//cout << "lambda " << lambda[0][0] << endl;
//cout << "lambda OK" << endl;
(*this).Set_Ix2_Offsets (offsets);
}
ODSLF_Bethe_State::ODSLF_Bethe_State (const Heis_Chain& RefChain, int M)
: chain(RefChain), base(RefChain, M), offsets(base, 0LL), Ix2(ODSLF_Ix2_Config(RefChain, M)), lambda(ODSLF_Lambda(RefChain, M)),
: chain(RefChain), base(RefChain, M), offsets(base, 0LL), Ix2(ODSLF_Ix2_Config(RefChain, M)),
lambda(ODSLF_Lambda(RefChain, M)),
BE(ODSLF_Lambda(RefChain, M)), diffsq(1.0), conv(0), iter(0), iter_Newton(0),
E(0.0), iK(0), K(0.0), lnnorm(-100.0),
//id(0LL), maxid(0LL)
base_id(0LL), type_id(0LL), id(0LL), maxid(offsets.maxid), nparticles(0)
{
//cout << "Here in Heis constructor chain M" << endl;
//cout << "requested M = " << M << endl;
//cout << "lambda " << lambda[0][0] << endl;
//cout << "lambda OK" << endl;
}
ODSLF_Bethe_State::ODSLF_Bethe_State (const Heis_Chain& RefChain, const ODSLF_Base& RefBase)
: chain(RefChain), base(RefBase), offsets(RefBase, 0LL), Ix2(ODSLF_Ix2_Config(RefChain, RefBase)), lambda(ODSLF_Lambda(RefChain, RefBase)),
BE(ODSLF_Lambda(RefChain, RefBase)), diffsq(1.0), conv(0), iter(0), iter_Newton(0), E(0.0), iK(0), K(0.0), lnnorm(-100.0),
//id(0LL), maxid(0LL)
: chain(RefChain), base(RefBase), offsets(RefBase, 0LL),
Ix2(ODSLF_Ix2_Config(RefChain, RefBase)), lambda(ODSLF_Lambda(RefChain, RefBase)),
BE(ODSLF_Lambda(RefChain, RefBase)), diffsq(1.0), conv(0), iter(0), iter_Newton(0),
E(0.0), iK(0), K(0.0), lnnorm(-100.0),
base_id(RefBase.id), type_id(0LL), id(0LL), maxid(offsets.maxid), nparticles(0)
{
// Check that the number of rapidities is consistent with Mdown
//cout << "Here in Heis constructor chain base" << endl;
//cout << "lambda " << lambda[0][0] << endl;
//cout << "lambda OK" << endl;
int Mcheck = 0;
for (int i = 0; i < RefChain.Nstrings; ++i) Mcheck += base[i] * RefChain.Str_L[i];
if (RefBase.Mdown != Mcheck) ABACUSerror("Wrong M from Nrapidities input vector, in ODSLF_Bethe_State constructor.");
if (RefBase.Mdown != Mcheck)
ABACUSerror("Wrong M from Nrapidities input vector, in ODSLF_Bethe_State constructor.");
}
ODSLF_Bethe_State::ODSLF_Bethe_State (const Heis_Chain& RefChain, long long int base_id_ref, long long int type_id_ref)
: chain(RefChain), base(ODSLF_Base(RefChain, base_id_ref)), offsets(base, type_id_ref), Ix2(ODSLF_Ix2_Config(RefChain, base)), lambda(ODSLF_Lambda(RefChain, base)),
BE(ODSLF_Lambda(RefChain, base)), diffsq(1.0), conv(0), iter(0), iter_Newton(0), E(0.0), iK(0), K(0.0), lnnorm(-100.0),
//id(0LL), maxid(0LL)
ODSLF_Bethe_State::ODSLF_Bethe_State (const Heis_Chain& RefChain,
long long int base_id_ref, long long int type_id_ref)
: chain(RefChain), base(ODSLF_Base(RefChain, base_id_ref)), offsets(base, type_id_ref),
Ix2(ODSLF_Ix2_Config(RefChain, base)), lambda(ODSLF_Lambda(RefChain, base)),
BE(ODSLF_Lambda(RefChain, base)), diffsq(1.0), conv(0), iter(0), iter_Newton(0),
E(0.0), iK(0), K(0.0), lnnorm(-100.0),
base_id(base_id_ref), type_id(type_id_ref), id(0LL), maxid(offsets.maxid), nparticles(0)
{
//cout << "Here in Heis constructor chain base_id type_id" << endl;
//cout << "lambda " << lambda[0][0] << endl;
//cout << "lambda OK" << endl;
}
void ODSLF_Bethe_State::Set_Ix2_Offsets (const ODSLF_Ix2_Offsets& RefOffset) // sets the Ix2 to given offsets
{
if (base != RefOffset.base) ABACUSerror("Offset with incompatible base used in ODSLF_Bethe_State::Set_Ix2_Offsets.");
/*
// Check if total number of holes agrees with number of rapidities in higher particles
int total_nr_holes = RefOffset.Tableau[0].Nrows + RefOffset.Tableau[1].Nrows;
int total_nr_rap_in_particles = 0;
for (int offsets_level = 2; offsets_level < RefOffset.Tableau.size(); offsets_level += 2)
total_nr_rap_in_particles += chain.Str_L[offsets_level/2 - 1] * (RefOffset.Tableau[offsets_level].Nrows + RefOffset.Tableau[offsets_level + 1].Nrows);
cout << total_nr_holes << "\t" << total_nr_rap_in_particles << endl;
if (total_nr_holes != total_nr_rap_in_particles) ABACUSerror("Offset with incompatible Nparticles used in ODSLF_Bethe_State::Set_Ix2_Offsets.");
*/
if (base != RefOffset.base)
ABACUSerror("Offset with incompatible base used in ODSLF_Bethe_State::Set_Ix2_Offsets.");
// For each base_level, we make sure that the Ix2 are ordered: Ix2[0][j] < Ix2[0][k] if j < k.
@ -979,103 +873,70 @@ namespace ABACUS {
for (int j = 0; j < RefOffset.Tableau[2].Nrows; ++j) {
Ix2[0][base.Nrap[0] - 1 - j]
= base.Nrap[0] - 1 + 2* RefOffset.Tableau[2].Nrows - 2*j + 2*RefOffset.Tableau[2].Row_L[j];
//cout << "R pcles, j = " << base.Nrap[0] - 1 - j << " Ix2[j] = " << Ix2[0][base.Nrap[0] - 1 - j] << endl;
//cout << "j = " << j << "\tbase.Nrap[0] " << base.Nrap[0] << "\t2*RefOffset.Tableau[2].Nrows " << 2*RefOffset.Tableau[2].Nrows << "\t2*RefOffset.Tableau[2].Row_L[j] " << 2*RefOffset.Tableau[2].Row_L[j] << endl;
//cout << base.Nrap[0] - 1 - j << "\t" << base.Nrap[0] - 1 + 2* RefOffset.Tableau[2].Nrows - 2*j + 2*RefOffset.Tableau[2].Row_L[j] << "\t" << Ix2[0][base.Nrap[0] - 1 - j] << "\t" << Ix2[0][9] << endl;
}
nparticles = RefOffset.Tableau[2].Nrows;
//cout << "Here a" << endl;
// Level 0: holes in R part of GS interval
for (int j = 0; j < RefOffset.Tableau[0].Ncols; ++j) {
//Ix2[0][base.Nrap[0] - 1 - RefOffset.Tableau[2].Nrows - j] = base.Nrap[0] - 1 - 2*RefOffset.Tableau[0].Nrows - 2*j + 2*RefOffset.Tableau[0].Col_L[j];
Ix2[0][base.Nrap[0] - 1 - RefOffset.Tableau[2].Nrows - j] = (base.Nrap[0] + 1) % 2 + 2*RefOffset.Tableau[0].Ncols - 2 - 2*j + 2*RefOffset.Tableau[0].Col_L[j];
//cout << "R holes, j = " << base.Nrap[0] - 1 - RefOffset.Tableau[2].Nrows - j << " Ix2[j] = " << Ix2[0][base.Nrap[0] - 1 - RefOffset.Tableau[2].Nrows - j] << endl;
//cout << base.Nrap[0] << "\t" << (base.Nrap[0] + 1) % 2 << "\t" << RefOffset.Tableau[0].Ncols << "\t" << RefOffset.Tableau[0].Col_L[j] << endl;
Ix2[0][base.Nrap[0] - 1 - RefOffset.Tableau[2].Nrows - j] = (base.Nrap[0] + 1) % 2
+ 2*RefOffset.Tableau[0].Ncols - 2 - 2*j + 2*RefOffset.Tableau[0].Col_L[j];
}
nparticles += RefOffset.Tableau[0].Ncols;
//cout << "Here b" << endl;
// Level 1: holes in L part of GS interval
for (int j = 0; j < RefOffset.Tableau[1].Ncols; ++j) {
Ix2[0][base.Nrap[0] - 1 - RefOffset.Tableau[0].Ncols - RefOffset.Tableau[2].Nrows - j]
= -1 - (base.Nrap[0] % 2) - 2* j - 2*RefOffset.Tableau[1].Col_L[RefOffset.Tableau[1].Ncols - 1 - j];
//cout << "L holes, j = " << base.Nrap[0] - 1 - RefOffset.Tableau[0].Ncols - RefOffset.Tableau[2].Nrows- j << " Ix2[j] = " << Ix2[0][base.Nrap[0] - 1 - RefOffset.Tableau[0].Ncols - RefOffset.Tableau[2].Nrows- j] << endl;
}
nparticles += RefOffset.Tableau[1].Ncols;
// cout << "Here c" << endl;
// Level 3: particles in L part outside GS interval
for (int j = 0; j < RefOffset.Tableau[3].Nrows; ++j) {
Ix2[0][base.Nrap[0] - 1 - RefOffset.Tableau[0].Ncols - RefOffset.Tableau[1].Ncols - RefOffset.Tableau[2].Nrows - j]
= -(base.Nrap[0] + 1 + 2*j + 2*RefOffset.Tableau[3].Row_L[RefOffset.Tableau[3].Nrows - 1 - j]);
//cout << "R pcles, j = " << base.Nrap[0] - 1 - RefOffset.Tableau[0].Ncols - RefOffset.Tableau[1].Ncols - RefOffset.Tableau[2].Nrows << " Ix2[j] = " << Ix2[0][base.Nrap[0] - 1 - RefOffset.Tableau[0].Ncols - RefOffset.Tableau[1].Ncols - RefOffset.Tableau[2].Nrows] << endl;
}
nparticles += RefOffset.Tableau[3].Nrows;
//cout << "Here d" << endl;
// Subsequent levels: particles on R and L
for (int base_level = 1; base_level < base.Nrap.size(); ++base_level) {
for (int j = 0; j < RefOffset.Tableau[2*base_level + 2].Nrows; ++j)
Ix2[base_level][base.Nrap[base_level] - 1 - j]
= ((base.Nrap[base_level] + 1) % 2) + 2*(RefOffset.Tableau[2*base_level + 2].Nrows - 1) -2*j + 2*RefOffset.Tableau[2*base_level + 2].Row_L[j];
= ((base.Nrap[base_level] + 1) % 2) + 2*(RefOffset.Tableau[2*base_level + 2].Nrows - 1) -2*j
+ 2*RefOffset.Tableau[2*base_level + 2].Row_L[j];
nparticles += RefOffset.Tableau[2*base_level + 2].Nrows;
for (int j = 0; j < RefOffset.Tableau[2*base_level + 3].Nrows; ++j)
Ix2[base_level][base.Nrap[base_level] - 1 - RefOffset.Tableau[2*base_level + 2].Nrows - j]
= -1 - ((base.Nrap[base_level]) % 2) -2*j - 2*RefOffset.Tableau[2*base_level + 3].Row_L[RefOffset.Tableau[2*base_level + 3].Nrows - 1 - j];
= -1 - ((base.Nrap[base_level]) % 2) -2*j
- 2*RefOffset.Tableau[2*base_level + 3].Row_L[RefOffset.Tableau[2*base_level + 3].Nrows - 1 - j];
nparticles += RefOffset.Tableau[2*base_level + 3].Nrows;
}
//// Set the correct parity: quantum numbers always integer. Comparing ODSLF with Heis: if M is even, shift all Ix2 by +1:
//if (base.Nrap[0] % 2 == 0)
//for (int j = 0; j < base.Nrap[0]; ++j) Ix2[0][j] += 1; WRONG!!
// ODSLF: put back correct parity of quantum nr:
for (int j = 0; j < base.Nrap.size(); ++j)
for (int alpha = 0; alpha < base[j]; ++alpha)
if ((Ix2[j][alpha] + chain.Nsites - 1 + base.Nrap[j] + (base.Nraptot + 1) * chain.Str_L[j] + (chain.par[j] == 1 ? 0 : chain.Nsites)) % 2)
if ((Ix2[j][alpha] + chain.Nsites - 1 + base.Nrap[j] + (base.Nraptot + 1) * chain.Str_L[j]
+ (chain.par[j] == 1 ? 0 : chain.Nsites)) % 2)
Ix2[j][alpha] -= 1;
//cout << "Here e" << endl;
//id = RefOffset.id;
//maxid = RefOffset.maxid;
type_id = RefOffset.type_id;
id = RefOffset.id;
maxid = RefOffset.maxid;
/*
// New meaning of negative parity:
for (int j = 1; j < base.Nrap.size(); ++j)
if (chain.par[j] == -1) // we `invert' the meaning of the quantum numbers
for (int alpha = 0; alpha < base[j]; ++alpha) {
if (Ix2[j][alpha] >= 0) Ix2[j][alpha] -= 2*(base.Ix2_max[j]/2 + 1);
else Ix2[j][alpha] += 2*(base.Ix2_max[j]/2 + 1);
}
*/
//cout << "After setting Ix2 with offsets of type_id " << type_id << " and id " << id << endl;
//cout << RefOffset.Tableau[0].Nrows << "\t" << RefOffset.Tableau[0].Ncols << "\t" << RefOffset.Tableau[1].Nrows << "\t" << RefOffset.Tableau[1].Ncols << "\t" << RefOffset.Tableau[2].Nrows << "\t" << RefOffset.Tableau[2].Ncols << "\t" << RefOffset.Tableau[3].Nrows << "\t" << RefOffset.Tableau[3].Ncols << "\t" << endl;
//cout << Ix2[0] << endl;
return;
}
void ODSLF_Bethe_State::Set_to_id (long long int id_ref)
{
//cout << "Heis: Set_to_id called." << endl;
offsets.Set_to_id (id_ref);
(*this).Set_Ix2_Offsets (offsets);
}
void ODSLF_Bethe_State::Set_to_id (long long int id_ref, ODSLF_Bethe_State& RefState)
{
//cout << "Heis: Set_to_id called." << endl;
offsets.Set_to_id (id_ref);
(*this).Set_Ix2_Offsets (offsets);
}
@ -1083,40 +944,20 @@ namespace ABACUS {
bool ODSLF_Bethe_State::Check_Symmetry ()
{
// Checks whether the I's are symmetrically distributed.
bool symmetric_state = true;
int arg, test1, test3;
//if (chain.Delta <= 1.0) {
for (int j = 0; j < chain.Nstrings; ++j) {
test1 = 0;
test3 = 0;
for (int alpha = 0; alpha < base[j]; ++alpha) {
arg = (Ix2[j][alpha] != chain.Nsites) ? Ix2[j][alpha] : 0; // since Ix2 = N is same as Ix2 = -N by periodicity, this is symmetric.
// since Ix2 = N is same as Ix2 = -N by periodicity, this is symmetric.
arg = (Ix2[j][alpha] != chain.Nsites) ? Ix2[j][alpha] : 0;
test1 += arg;
test3 += arg * arg * arg; // to make sure that all I's are symmetrical...
}
if (!(symmetric_state && (test1 == 0) && (test3 == 0))) symmetric_state = false;
}
//}
/*
else if (chain.Delta > 1.0) {
// For the gapped antiferromagnet, we check symmetry *excluding* the Ix2_max values
// The state is then inadmissible is symmetric && -Ix2_max occupied
for (int j = 0; j < chain.Nstrings; ++j) {
test1 = 0;
test3 = 0;
for (int alpha = 0; alpha < base[j]; ++alpha) {
arg = (Ix2[j][alpha] != chain.Nsites
&& abs(Ix2[j][alpha]) != base.Ix2_max[j]) ? Ix2[j][alpha] : 0; // since Ix2 = N is same as Ix2 = -N by periodicity, this is symmetric.
test1 += arg;
test3 += arg * arg * arg; // to make sure that all I's are symmetrical...
}
if (!(symmetric_state && (test1 == 0) && (test3 == 0))) symmetric_state = false;
}
}
*/
return symmetric_state;
}
@ -1141,15 +982,11 @@ namespace ABACUS {
void ODSLF_Bethe_State::Iterate_BAE ()
{
//DP lambda_old;
for (int j = 0; j < chain.Nstrings; ++j) {
for (int alpha = 0; alpha < base[j]; ++alpha)
{
//lambda_old = lambda[j][alpha];
lambda[j][alpha] = Iterate_BAE (j, alpha);
//cout << j << "\t" << alpha << "\t" << Ix2[j][alpha] << "\t" << lambda_old << "\t" << lambda[j][alpha] << "\t";
}
//cout << endl;
}
iter++;
@ -1193,7 +1030,8 @@ namespace ABACUS {
Vect_INT indx (base.Nraptot);
ODSLF_Lambda lambda_ref(chain, base);
for (int j = 0; j < chain.Nstrings; ++j) for (int alpha = 0; alpha < base[j]; ++alpha) lambda_ref[j][alpha] = lambda[j][alpha];
for (int j = 0; j < chain.Nstrings; ++j)
for (int alpha = 0; alpha < base[j]; ++alpha) lambda_ref[j][alpha] = lambda[j][alpha];
(*this).Build_Reduced_Gaudin_Matrix (Gaudin);
@ -1216,16 +1054,13 @@ namespace ABACUS {
return;
}
//cout << iter_Newton << "\t" << dlambda << endl;
// Regularize dlambda: max step is +-1.0 to prevent rapidity flying off into outer space.
for (int i = 0; i < base.Nraptot; ++i) if (fabs(real(dlambda[i])) > 1.0) dlambda[i] = 0.0;//(real(dlambda[i]) > 0) ? 1.0 : -1.0;
for (int i = 0; i < base.Nraptot; ++i) if (fabs(real(dlambda[i])) > 1.0) dlambda[i] = 0.0;
index = 0;
for (int j = 0; j < chain.Nstrings; ++j)
for (int alpha = 0; alpha < base[j]; ++alpha) {
lambda[j][alpha] = lambda_ref[j][alpha] + real(dlambda[index]);
//cout << j << "\t" << alpha << "\t" << dlambda[index] << "\t" << lambda_ref[j][alpha] << "\t" << lambda[j][alpha] << endl;
index++;
}
@ -1234,7 +1069,6 @@ namespace ABACUS {
(*this).Compute_diffsq();
// if we've converged, calculate the norm here, since the work has been done...
if (diffsq < chain.prec) {
lnnorm = 0.0;
for (int j = 0; j < base.Nraptot; j++) lnnorm += log(abs(Gaudin[j][j]));
@ -1258,7 +1092,6 @@ namespace ABACUS {
prec_obtained = pow(BE[j][alpha], 2.0)/chain.Nsites;
niter_here++;
}
}
void ODSLF_Bethe_State::Find_Rapidities (bool reset_rapidities)
@ -1291,9 +1124,6 @@ namespace ABACUS {
while (diffsq > chain.prec && iter < 300 && iter_Newton < 20) {
// If we haven't reset, first try a few Newton steps...
//if (!reset_rapidities && iter_Newton == 0) (*this).Solve_BAE_Newton (chain.prec, 10);
do {
interp_start = clock();
iter_interp_start = iter;
@ -1307,18 +1137,13 @@ namespace ABACUS {
iter_prec = diffsq * 0.001;
//cout << "Interp: iter " << iter << "\tdiffsq " << diffsq << endl;
} while (diffsq > chain.prec && !is_nan(diffsq) && diffsq_interp_stop/diffsq_interp_start < 0.001);
// If we haven't even reached iter_prec, try normal iterations without extrapolations
if (diffsq > iter_prec) {
(*this).Solve_BAE_smackdown (0.1 * diffsq, 1);
}
//cout << "Smackdown: iter " << iter << "\tdiffsq " << diffsq << endl;
// Now try Newton
Newton_start = clock();
@ -1331,14 +1156,10 @@ namespace ABACUS {
iter_Newton_stop = iter_Newton;
diffsq_Newton_stop = diffsq;
//cout << "Newton: iter " << iter_Newton << "\tdiffsq " << diffsq << endl;
if (diffsq > iter_prec) (*this).Solve_BAE_smackdown (0.1 * diffsq, 1);
if (diffsq > iter_prec) (*this).Solve_BAE_straight_iter (0.1 * diffsq, 50);
//cout << "Straight iter: iter " << iter << "\tdiffsq " << diffsq << endl;
// If we haven't converged here, retry with more precision in interp method...
if (is_nan(diffsq)) {
@ -1352,9 +1173,6 @@ namespace ABACUS {
}
// Check convergence:
//cout << "Check_Rapidities: " << (*this).Check_Rapidities() << endl;
conv = (diffsq < chain.prec && (*this).Check_Rapidities()) ? 1 : 0;
return;
@ -1369,7 +1187,8 @@ namespace ABACUS {
ODSLF_Lambda lambda_ref(chain, base);
DP diffsq_ref = 1.0;
for (int j = 0; j < chain.Nstrings; ++j) for (int alpha = 0; alpha < base[j]; ++alpha) lambda_ref[j][alpha] = lambda[j][alpha];
for (int j = 0; j < chain.Nstrings; ++j)
for (int alpha = 0; alpha < base[j]; ++alpha) lambda_ref[j][alpha] = lambda[j][alpha];
diffsq_ref = diffsq;
// Now begin solving...
@ -1384,7 +1203,8 @@ namespace ABACUS {
if ((diffsq > diffsq_ref) || (is_nan(diffsq))) {
// This procedure has failed. We reset everything to begin values.
for (int j = 0; j < chain.Nstrings; ++j) for (int alpha = 0; alpha < base[j]; ++alpha) lambda[j][alpha] = lambda_ref[j][alpha];
for (int j = 0; j < chain.Nstrings; ++j)
for (int alpha = 0; alpha < base[j]; ++alpha) lambda[j][alpha] = lambda_ref[j][alpha];
diffsq = diffsq_ref;
}
@ -1400,7 +1220,8 @@ namespace ABACUS {
ODSLF_Lambda lambda_ref(chain, base);
DP diffsq_ref = 1.0;
for (int j = 0; j < chain.Nstrings; ++j) for (int alpha = 0; alpha < base[j]; ++alpha) lambda_ref[j][alpha] = lambda[j][alpha];
for (int j = 0; j < chain.Nstrings; ++j)
for (int alpha = 0; alpha < base[j]; ++alpha) lambda_ref[j][alpha] = lambda[j][alpha];
diffsq_ref = diffsq;
// Now begin solving...
@ -1415,7 +1236,8 @@ namespace ABACUS {
if ((diffsq > diffsq_ref)) {
// This procedure has failed. We reset everything to begin values.
for (int j = 0; j < chain.Nstrings; ++j) for (int alpha = 0; alpha < base[j]; ++alpha) lambda[j][alpha] = lambda_ref[j][alpha];
for (int j = 0; j < chain.Nstrings; ++j)
for (int alpha = 0; alpha < base[j]; ++alpha) lambda[j][alpha] = lambda_ref[j][alpha];
diffsq = diffsq_ref;
}
}
@ -1429,7 +1251,8 @@ namespace ABACUS {
ODSLF_Lambda lambda_ref(chain, base);
DP diffsq_ref = 1.0;
for (int j = 0; j < chain.Nstrings; ++j) for (int alpha = 0; alpha < base[j]; ++alpha) lambda_ref[j][alpha] = lambda[j][alpha];
for (int j = 0; j < chain.Nstrings; ++j)
for (int alpha = 0; alpha < base[j]; ++alpha) lambda_ref[j][alpha] = lambda[j][alpha];
diffsq_ref = diffsq;
// Now begin solving...
@ -1446,15 +1269,17 @@ namespace ABACUS {
while ((diffsq > interp_prec) && (max_iter_interp > iter_done_here)) {
(*this).Iterate_BAE();
for (int j = 0; j < chain.Nstrings; ++j) for (int alpha = 0; alpha < base[j]; ++alpha) lambda1[j][alpha] = lambda[j][alpha];
for (int j = 0; j < chain.Nstrings; ++j)
for (int alpha = 0; alpha < base[j]; ++alpha) lambda1[j][alpha] = lambda[j][alpha];
(*this).Iterate_BAE();
for (int j = 0; j < chain.Nstrings; ++j) for (int alpha = 0; alpha < base[j]; ++alpha) lambda2[j][alpha] = lambda[j][alpha];
for (int j = 0; j < chain.Nstrings; ++j)
for (int alpha = 0; alpha < base[j]; ++alpha) lambda2[j][alpha] = lambda[j][alpha];
(*this).Iterate_BAE();
for (int j = 0; j < chain.Nstrings; ++j) for (int alpha = 0; alpha < base[j]; ++alpha) lambda3[j][alpha] = lambda[j][alpha];
for (int j = 0; j < chain.Nstrings; ++j)
for (int alpha = 0; alpha < base[j]; ++alpha) lambda3[j][alpha] = lambda[j][alpha];
(*this).Iterate_BAE();
for (int j = 0; j < chain.Nstrings; ++j) for (int alpha = 0; alpha < base[j]; ++alpha) lambda4[j][alpha] = lambda[j][alpha];
//(*this).Iterate_BAE();
//for (int j = 0; j < chain.Nstrings; ++j) for (int alpha = 0; alpha < base[j]; ++alpha) lambda5[j][alpha] = lambda[j][alpha];
for (int j = 0; j < chain.Nstrings; ++j)
for (int alpha = 0; alpha < base[j]; ++alpha) lambda4[j][alpha] = lambda[j][alpha];
iter_done_here += 4;
@ -1471,11 +1296,8 @@ namespace ABACUS {
rap[1] = lambda2[j][alpha];
rap[2] = lambda3[j][alpha];
rap[3] = lambda4[j][alpha];
//rap[4] = lambda5[j][alpha];
polint (oneoverP, rap, 0.0, lambda[j][alpha], deltalambda);
//cout << j << "\t" << alpha << "\t" << rap << "\t" << lambda[j][alpha] << "\t" << deltalambda << endl;
}
(*this).Iterate_BAE();
@ -1483,7 +1305,8 @@ namespace ABACUS {
if ((diffsq >= diffsq_ref)) {
// This procedure has failed. We reset everything to begin values.
for (int j = 0; j < chain.Nstrings; ++j) for (int alpha = 0; alpha < base[j]; ++alpha) lambda[j][alpha] = lambda_ref[j][alpha];
for (int j = 0; j < chain.Nstrings; ++j)
for (int alpha = 0; alpha < base[j]; ++alpha) lambda[j][alpha] = lambda_ref[j][alpha];
diffsq = diffsq_ref;
}
@ -1498,19 +1321,7 @@ namespace ABACUS {
SQMat_CX Gaudin_Red(base.Nraptot);
(*this).Build_Reduced_Gaudin_Matrix(Gaudin_Red);
/*
cout << endl << "Gaudin matrix: " << endl;
for (int j = 0; j < Gaudin_Red.size(); ++j) {
for (int k = 0; k < Gaudin_Red.size(); ++k) cout << Gaudin_Red[j][k] << " ";
cout << endl;
}
cout << endl << endl;
*/
complex<DP> lnnorm_check = lndet_LU_CX_dstry(Gaudin_Red);
//cout << "Calculated lnnorm = " << lnnorm_check;
//lnnorm = real(lndet_LU_CX_dstry(Gaudin_Red));
lnnorm = real(lnnorm_check);
}
@ -1577,15 +1388,19 @@ namespace ABACUS {
{
// sends all the state data to output stream
s << endl << "******** Chain with Nsites = " << state.chain.Nsites << " Mdown (nr fermions) = " << state.base.Mdown
s << endl << "******** Chain with Nsites = " << state.chain.Nsites
<< " Mdown (nr fermions) = " << state.base.Mdown
<< ": eigenstate with base_id " << state.base_id << ", type_id " << state.type_id
<< " id " << state.id << " maxid " << state.offsets.maxid << endl
<< "E = " << state.E << " K = " << state.K << " iK = " << state.iK << " lnnorm = " << state.lnnorm << endl
<< "conv = " << state.conv << " iter = " << state.iter << " iter_Newton = " << state.iter_Newton << "\tdiffsq " << state.diffsq << endl;
<< "E = " << state.E << " K = " << state.K << " iK = " << state.iK
<< " lnnorm = " << state.lnnorm << endl
<< "conv = " << state.conv << " iter = " << state.iter
<< " iter_Newton = " << state.iter_Newton << "\tdiffsq " << state.diffsq << endl;
for (int j = 0; j < state.chain.Nstrings; ++j) {
if (state.base.Nrap[j] > 0) {
s << "Type " << j << " Str_L = " << state.chain.Str_L[j] << " par = " << state.chain.par[j] << " M_j = " << state.base.Nrap[j]
s << "Type " << j << " Str_L = " << state.chain.Str_L[j]
<< " par = " << state.chain.par[j] << " M_j = " << state.base.Nrap[j]
<< " Ix2_infty = " << state.base.Ix2_infty[j] << " Ix2_max = " << state.base.Ix2_max[j] << endl;
Vect_INT qnumbers(state.base.Nrap[j]);
Vect_DP rapidities(state.base.Nrap[j]);
@ -1610,6 +1425,4 @@ namespace ABACUS {
}
} // namespace ABACUS

119
src/ODSLF/ODSLF_Chem_Pot.cc
View File

@ -16,125 +16,6 @@ Purpose: calculates the chemical potential.
namespace ABACUS {
/*
DP Ezero (DP Delta, int N, int M)
{
// Returns the energy of the ground state with M down spins
if (M < 0 || M > N/2) ABACUSerror("M out of bounds in Ezero.");
DP E = -1.0; // sentinel value
if (M == 0) E = N * Delta/4.0;
else {
Heis_Chain BD1(1.0, Delta, 0.0, N);
Vect_INT Nrapidities_groundstate(0, BD1.Nstrings);
Nrapidities_groundstate[0] = M;
ODSLF_Base baseconfig_groundstate(BD1, Nrapidities_groundstate);
if ((Delta > 0.0) && (Delta < 1.0)) {
ODSLF_XXZ_Bethe_State groundstate(BD1, baseconfig_groundstate);
groundstate.Compute_All(true);
E = groundstate.E;
}
else if (Delta == 1.0) {
XXX_Bethe_State groundstate(BD1, baseconfig_groundstate);
groundstate.Compute_All(true);
E = groundstate.E;
}
else if (Delta > 1.0) {
XXZ_gpd_Bethe_State groundstate(BD1, baseconfig_groundstate);
groundstate.Compute_All(true);
E = groundstate.E;
}
else ABACUSerror("Anisotropy out of bounds in Ezero.");
}
return(E);
}
DP H_vs_M (DP Delta, int N, int M)
{
// Assumes dE/dM = 0 = dE_0/dM + h, with dE_0/dM = E_0(M) - E_0 (M - 1)
DP H = 0.0;
if (2*M == N) H = 0.0;
else if (Delta <= 1.0) H = Ezero (Delta, N, M - 1) - Ezero (Delta, N, M);
return(H);
}
DP HZmin (DP Delta, int N, int M, Vect_DP& Ezero_ref)
{
if (M < 0 || M > N/2 - 1) {
cout << "M = " << M << endl;
ABACUSerror("M out of bounds in HZmin.");
}
if (Ezero_ref[M] == -1.0) Ezero_ref[M] = Ezero(Delta, N, M);
if (Ezero_ref[M + 1] == -1.0) Ezero_ref[M + 1] = Ezero(Delta, N, M + 1);
return(Ezero_ref[M] - Ezero_ref[M + 1]);
}
int M_vs_H (DP Delta, int N, DP HZ)
{
// Returns the value of M for given field HZ
if (HZ < 0.0) ABACUSerror("Please use a positive field in M_vs_H.");
else if (HZ == 0.0) return(N/2);
// Here, -1.0 is a sentinel value.
Vect_DP Ezero(-1.0, N/2 + 1); // contains the GSE[M].
// We look for M s.t. HZmin[M] < HZ <= HZmin[M + 1]
int M_actual = N/4; // start somewhere in middle
int M_step = N/8 - 1; // step
DP HZmin_actual = 0.0;
DP HZmax_actual = 0.0;
bool M_found = false;
if (HZ >= 1.0 + Delta) M_actual = 0; // saturation
else {
HZmin_actual = HZmin (Delta, N, M_actual, Ezero);
HZmax_actual = HZmin (Delta, N, M_actual - 1, Ezero);
while (!M_found) {
if (HZmin_actual > HZ) M_actual += M_step;
else if (HZmax_actual <= HZ) M_actual -= M_step;
M_step = (M_step + 1)/2;
HZmin_actual = HZmin (Delta, N, M_actual, Ezero);
HZmax_actual = HZmin (Delta, N, M_actual - 1, Ezero);
M_found = (HZmin_actual < HZ && HZ <= HZmax_actual);
//cout << "M_actual = " << M_actual << "\tM_step = " << M_step
// << "\tHZmin_actual = " << HZmin_actual << "\tHZmax_actual = " << HZmax_actual << "\tHZ = " << HZ << "\t" << M_found << endl;
}
}
//cout << "M found = " << M_actual << "\tHZmax = " << Ezero[M_actual] - Ezero[M_actual + 1] << "\tHZmin = " << Ezero[M_actual - 1] - Ezero[M_actual] << endl;
return(M_actual);
}
*/
DP Chemical_Potential (const ODSLF_Bethe_State& RefState)
{
return(-H_vs_M (RefState.chain.Delta, RefState.chain.Nsites, RefState.base.Mdown)); // - sign since E_{M+1} - E_M = -H

7
src/ODSLF/ODSLF_Matrix_Element_Contrib.cc
View File

@ -19,8 +19,6 @@ using namespace ABACUS;
namespace ABACUS {
//DP Compute_Matrix_Element_Contrib (char whichDSF, bool fixed_iK, ODSLF_XXZ_Bethe_State& LeftState,
//ODSLF_XXZ_Bethe_State& RefState, DP Chem_Pot, fstream& DAT_outfile)
DP Compute_Matrix_Element_Contrib (char whichDSF, int iKmin, int iKmax, ODSLF_XXZ_Bethe_State& LeftState,
ODSLF_XXZ_Bethe_State& RefState, DP Chem_Pot, fstream& DAT_outfile)
{
@ -39,7 +37,6 @@ namespace ABACUS {
ME = exp(real(ln_Smin_ME (RefState, LeftState)));
else if (whichDSF == 'z') {
if (LeftState.base_id == RefState.base_id && LeftState.type_id == RefState.type_id && LeftState.id == RefState.id)
//MEsq = RefState.chain.Nsites * 0.25 * pow((1.0 - 2.0*RefState.base.Mdown/RefState.chain.Nsites), 2.0);
ME = sqrt(RefState.chain.Nsites * 0.25) * (1.0 - 2.0*RefState.base.Mdown/RefState.chain.Nsites);
else ME = exp(real(ln_Sz_ME (RefState, LeftState)));
}
@ -60,21 +57,18 @@ namespace ABACUS {
if (whichDSF == 'Z') {
DAT_outfile << endl << LeftState.E - RefState.E - (LeftState.base.Mdown - RefState.base.Mdown) * Chem_Pot << "\t"
<< iKout << "\t"
//<< LeftState.conv << "\t"
<< LeftState.base_id << "\t" << LeftState.type_id << "\t" << LeftState.id;
}
else {
DAT_outfile << endl << LeftState.E - RefState.E - (LeftState.base.Mdown - RefState.base.Mdown) * Chem_Pot << "\t"
<< iKout << "\t"
<< ME << "\t"
//<< LeftState.conv << "\t"
<< LeftState.base_id << "\t" << LeftState.type_id << "\t" << LeftState.id;
}
} // if iKmin <= iKout <= iKmax
// Calculate and return the data_value:
DP data_value = ME * ME;
//DP data_value = (iKout == 0 ? 1.0 : 2.0) * MEsq;
if (whichDSF == 'Z') // use 1/(1 + omega)
data_value = 1.0/(1.0 + LeftState.E - RefState.E - (LeftState.base.Mdown - RefState.base.Mdown) * Chem_Pot);
else if (fixed_iK) // data value is MEsq * omega:
@ -83,5 +77,4 @@ namespace ABACUS {
return(data_value);
}
} // namespace ABACUS

76
src/ODSLF/ODSLF_Sumrules.cc
View File

@ -59,43 +59,7 @@ namespace ABACUS {
E0_Delta_eps = gstate2.E;
}
/*
else if (Delta == 1.0) {
// Define the ground state
XXX_Bethe_State gstate(chain, gbase);
// Compute everything about the ground state
gstate.Compute_All(true);
E0_Delta = gstate.E;
// Define the ground state
XXZ_gpd_Bethe_State gstate2(chain2, gbase2); // need XXZ_gpd here
// Compute everything about the ground state
gstate2.Compute_All(true);
E0_Delta_eps = gstate2.E;
}
else if (Delta > 1.0) {
// Define the ground state
XXZ_gpd_Bethe_State gstate(chain, gbase);
// Compute everything about the ground state
gstate.Compute_All(true);
E0_Delta = gstate.E;
// Define the ground state
XXZ_gpd_Bethe_State gstate2(chain2, gbase2);
// Compute everything about the ground state
gstate2.Compute_All(true);
E0_Delta_eps = gstate2.E;
}
*/
else ABACUSerror("Wrong anisotropy in ODSLF_S1_sumrule_factor.");
DP answer = 0.0;
@ -117,8 +81,8 @@ namespace ABACUS {
DP sumrule = 0.0;
if (mporz == 'm' || mporz == 'p') sumrule = - 2.0 * ((1.0 - Delta * cos((twoPI * iK)/N)) * X_x + (Delta - cos((twoPI * iK)/N)) * X_z)/N;
//if (mporz == 'm' || mporz == 'p') sumrule = - 1.0 * ((1.0 - Delta * cos((twoPI * iK)/N)) * 2.0 * X_x + (Delta - cos((twoPI * iK)/N)) * (X_x + X_z))/N;
if (mporz == 'm' || mporz == 'p')
sumrule = - 2.0 * ((1.0 - Delta * cos((twoPI * iK)/N)) * X_x + (Delta - cos((twoPI * iK)/N)) * X_z)/N;
else if (mporz == 'z') sumrule = iK == 0 ? 1.0 : -2.0 * X_x * (1.0 - cos((twoPI * iK)/N))/N;
@ -127,20 +91,15 @@ namespace ABACUS {
else ABACUSerror("option not implemented in ODSLF_S1_sumrule_factor.");
//return(1.0/sumrule);
return(1.0/(sumrule + 1.0e-16)); // sumrule is 0 for iK == 0 or N
return(1.0/(sumrule + 1.0e-32)); // sumrule is 0 for iK == 0 or N
}
DP ODSLF_S1_sumrule_factor (char mporz, DP Delta, int N, DP X_x, DP X_z, int iK)
{
//DP X_x = X_avg ('x', Delta, N, M);
//DP X_z = X_avg ('z', Delta, N, M);
DP sumrule = 0.0;
if (mporz == 'm' || mporz == 'p') sumrule = - 2.0 * ((1.0 - Delta * cos((twoPI * iK)/N)) * X_x + (Delta - cos((twoPI * iK)/N)) * X_z)/N;
//if (mporz == 'm' || mporz == 'p') sumrule = - 1.0 * ((1.0 - Delta * cos((twoPI * iK)/N)) * 2.0 * X_x + (Delta - cos((twoPI * iK)/N)) * (X_x + X_z))/N;
if (mporz == 'm' || mporz == 'p')
sumrule = - 2.0 * ((1.0 - Delta * cos((twoPI * iK)/N)) * X_x + (Delta - cos((twoPI * iK)/N)) * X_z)/N;
else if (mporz == 'z') sumrule = -2.0 * X_x * (1.0 - cos((twoPI * iK)/N))/N;
@ -149,15 +108,12 @@ namespace ABACUS {
else ABACUSerror("option not implemented in ODSLF_S1_sumrule_factor.");
//return(1.0/sumrule);
return(1.0/(sumrule + 1.0e-16)); // sumrule is 0 for iK == 0 or N
return(1.0/(sumrule + 1.0e-32)); // sumrule is 0 for iK == 0 or N
}
//DP Sumrule_Factor (char whichDSF, Heis_Bethe_State& RefState, DP Chem_Pot, bool fixed_iK, int iKneeded)
DP Sumrule_Factor (char whichDSF, ODSLF_Bethe_State& RefState, DP Chem_Pot, int iKmin, int iKmax)
{
DP sumrule_factor = 1.0;
//if (!fixed_iK) {
if (iKmin != iKmax) {
if (whichDSF == 'Z') sumrule_factor = 1.0;
else if (whichDSF == 'm')
@ -170,12 +126,11 @@ namespace ABACUS {
else ABACUSerror("whichDSF option not consistent in Sumrule_Factor");
}
//else if (fixed_iK) {
else if (iKmin == iKmax) {
if (whichDSF == 'Z') sumrule_factor = 1.0;
else if (whichDSF == 'm' || whichDSF == 'z' || whichDSF == 'p')
//sumrule_factor = S1_sumrule_factor (whichDSF, RefState.chain.Delta, RefState.chain.Nsites, RefState.base.Mdown, iKneeded);
sumrule_factor = ODSLF_S1_sumrule_factor (whichDSF, RefState.chain.Delta, RefState.chain.Nsites, RefState.base.Mdown, iKmax);
sumrule_factor = ODSLF_S1_sumrule_factor (whichDSF, RefState.chain.Delta, RefState.chain.Nsites,
RefState.base.Mdown, iKmax);
else if (whichDSF == 'a') sumrule_factor = 1.0;
else if (whichDSF == 'b') sumrule_factor = 1.0;
else if (whichDSF == 'q') sumrule_factor = 1.0;
@ -188,8 +143,8 @@ namespace ABACUS {
return(sumrule_factor);
}
//void Evaluate_F_Sumrule (char whichDSF, const ODSLF_Bethe_State& RefState, DP Chem_Pot, int iKmin, int iKmax, const char* FFsq_Cstr, const char* FSR_Cstr)
void Evaluate_F_Sumrule (string prefix, char whichDSF, const ODSLF_Bethe_State& RefState, DP Chem_Pot, int iKmin, int iKmax)
void Evaluate_F_Sumrule (string prefix, char whichDSF, const ODSLF_Bethe_State& RefState,
DP Chem_Pot, int iKmin, int iKmax)
{
stringstream RAW_stringstream; string RAW_string;
@ -205,7 +160,6 @@ namespace ABACUS {
if(infile.fail()) ABACUSerror("Could not open input file in Evaluate_F_Sumrule(ODSLF...).");
// We run through the data file to chech the f sumrule at each positive momenta:
//Vect<DP> Sum_omega_FFsq(0.0, RefState.chain.Nsites/2 + 1); //
Vect<DP> Sum_omega_FFsq(0.0, iKmax - iKmin + 1); //
DP omega, FF;
@ -214,7 +168,6 @@ namespace ABACUS {
while (infile.peek() != EOF) {
infile >> omega >> iK >> FF >> conv >> base_id >> type_id >> id;
//if (iK > 0 && iK <= RefState.chain.Nsites/2) Sum_omega_FFsq[iK] += omega * FFsq;
if (iK >= iKmin && iK <= iKmax) Sum_omega_FFsq[iK - iKmin] += omega * FF * FF;
}
@ -227,15 +180,10 @@ namespace ABACUS {
DP X_x = X_avg ('x', RefState.chain.Delta, RefState.chain.Nsites, RefState.base.Mdown);
DP X_z = X_avg ('z', RefState.chain.Delta, RefState.chain.Nsites, RefState.base.Mdown);
/*
outfile << 0 << "\t" << Sum_omega_FFsq[0] * S1_sumrule_factor (whichDSF, RefState.chain.Delta, RefState.chain.Nsites, X_x, X_z, 0);
for (int i = 1; i <= RefState.chain.Nsites/2; ++i)
outfile << endl << i << "\t" << Sum_omega_FFsq[i] * S1_sumrule_factor (whichDSF, RefState.chain.Delta, RefState.chain.Nsites, X_x, X_z, i);
*/
for (int i = iKmin; i <= iKmax; ++i) {
if (i > iKmin) outfile << endl;
outfile << i << "\t" << Sum_omega_FFsq[i] * ODSLF_S1_sumrule_factor (whichDSF, RefState.chain.Delta, RefState.chain.Nsites, X_x, X_z, i);
outfile << i << "\t" << Sum_omega_FFsq[i] * ODSLF_S1_sumrule_factor (whichDSF, RefState.chain.Delta,
RefState.chain.Nsites, X_x, X_z, i);
}
outfile.close();

154
src/ODSLF/ODSLF_XXZ_Bethe_State.cc
View File

@ -31,11 +31,13 @@ namespace ABACUS {
// Function definitions: class ODSLF_XXZ_Bethe_State
ODSLF_XXZ_Bethe_State::ODSLF_XXZ_Bethe_State ()
: ODSLF_Bethe_State(), sinhlambda(ODSLF_Lambda(chain, 1)), coshlambda(ODSLF_Lambda(chain, 1)), tanhlambda(ODSLF_Lambda(chain, 1))
: ODSLF_Bethe_State(), sinhlambda(ODSLF_Lambda(chain, 1)), coshlambda(ODSLF_Lambda(chain, 1)),
tanhlambda(ODSLF_Lambda(chain, 1))
{};
ODSLF_XXZ_Bethe_State::ODSLF_XXZ_Bethe_State (const ODSLF_XXZ_Bethe_State& RefState) // copy constructor
: ODSLF_Bethe_State(RefState), sinhlambda(ODSLF_Lambda(RefState.chain, RefState.base)), coshlambda(ODSLF_Lambda(RefState.chain, RefState.base)),
: ODSLF_Bethe_State(RefState), sinhlambda(ODSLF_Lambda(RefState.chain, RefState.base)),
coshlambda(ODSLF_Lambda(RefState.chain, RefState.base)),
tanhlambda(ODSLF_Lambda(RefState.chain, RefState.base))
{
// copy arrays into new ones
@ -58,21 +60,26 @@ namespace ABACUS {
//cout << "Here in XXZ BS constructor." << endl;
//cout << (*this).lambda[0][0] << endl;
//cout << "OK" << endl;
if ((RefChain.Delta <= -1.0) || (RefChain.Delta >= 1.0)) ABACUSerror("Delta out of range in ODSLF_XXZ_Bethe_State constructor");
if ((RefChain.Delta <= -1.0) || (RefChain.Delta >= 1.0))
ABACUSerror("Delta out of range in ODSLF_XXZ_Bethe_State constructor");
}
ODSLF_XXZ_Bethe_State::ODSLF_XXZ_Bethe_State (const Heis_Chain& RefChain, const ODSLF_Base& RefBase)
: ODSLF_Bethe_State(RefChain, RefBase),
sinhlambda(ODSLF_Lambda(RefChain, RefBase)), coshlambda(ODSLF_Lambda(RefChain, RefBase)), tanhlambda(ODSLF_Lambda(RefChain, RefBase))
sinhlambda(ODSLF_Lambda(RefChain, RefBase)), coshlambda(ODSLF_Lambda(RefChain, RefBase)),
tanhlambda(ODSLF_Lambda(RefChain, RefBase))
{
if ((RefChain.Delta <= -1.0) || (RefChain.Delta >= 1.0)) ABACUSerror("Delta out of range in ODSLF_XXZ_Bethe_State constructor");
if ((RefChain.Delta <= -1.0) || (RefChain.Delta >= 1.0))
ABACUSerror("Delta out of range in ODSLF_XXZ_Bethe_State constructor");
}
ODSLF_XXZ_Bethe_State::ODSLF_XXZ_Bethe_State (const Heis_Chain& RefChain, long long int base_id_ref, long long int type_id_ref)
ODSLF_XXZ_Bethe_State::ODSLF_XXZ_Bethe_State (const Heis_Chain& RefChain,
long long int base_id_ref, long long int type_id_ref)
: ODSLF_Bethe_State(RefChain, base_id_ref, type_id_ref),
sinhlambda(ODSLF_Lambda(chain, base)), coshlambda(ODSLF_Lambda(chain, base)), tanhlambda(ODSLF_Lambda(chain, base))
{
if ((RefChain.Delta <= -1.0) || (RefChain.Delta >= 1.0)) ABACUSerror("Delta out of range in ODSLF_XXZ_Bethe_State constructor");
if ((RefChain.Delta <= -1.0) || (RefChain.Delta >= 1.0))
ABACUSerror("Delta out of range in ODSLF_XXZ_Bethe_State constructor");
}
@ -116,13 +123,13 @@ namespace ABACUS {
for (int alpha = 0; alpha < base[i]; ++alpha) {
if(chain.par[i] == 1) lambda[i][alpha] = (tan(chain.Str_L[i] * 0.5 * chain.anis) * tan(PI * 0.5 * Ix2[i][alpha]/chain.Nsites));
else if (chain.par[i] == -1) lambda[i][alpha] = (-tan((PI * 0.5 * Ix2[i][alpha])/chain.Nsites)/tan(chain.Str_L[i] * 0.5 * chain.anis));
if(chain.par[i] == 1)
lambda[i][alpha] = (tan(chain.Str_L[i] * 0.5 * chain.anis) * tan(PI * 0.5 * Ix2[i][alpha]/chain.Nsites));
else if (chain.par[i] == -1)
lambda[i][alpha] = (-tan((PI * 0.5 * Ix2[i][alpha])/chain.Nsites)/tan(chain.Str_L[i] * 0.5 * chain.anis));
else ABACUSerror("Invalid parities in Set_Free_lambdas.");
// if (lambda[i][alpha] == 0.0) lambda[i][alpha] = 0.001 * (1.0 + i) * (1.0 + alpha) / chain.Nsites; // some arbitrary starting point here...
}
}
@ -168,7 +175,7 @@ namespace ABACUS {
bool higher_string_on_zero = false;
for (int j = 0; j < chain.Nstrings; ++j) {
// The following line puts answer to true if there is at least one higher string with zero Ix2
for (int alpha = 0; alpha < base[j]; ++alpha) if ((Ix2[j][alpha] == 0) && (chain.Str_L[j] >= 2) /*&& !(chain.Str_L[j] % 2)*/)
for (int alpha = 0; alpha < base[j]; ++alpha) if ((Ix2[j][alpha] == 0) && (chain.Str_L[j] >= 2))
higher_string_on_zero = true;
for (int alpha = 0; alpha < base[j]; ++alpha) if (Ix2[j][alpha] == 0) Zero_at_level[j] = true;
// NOTE: if base[j] == 0, Zero_at_level[j] remains false.
@ -181,14 +188,16 @@ namespace ABACUS {
bool string_coincidence = false;
for (int j1 = 0; j1 < chain.Nstrings; ++j1) {
for (int j2 = j1 + 1; j2 < chain.Nstrings; ++j2)
if (Zero_at_level[j1] && Zero_at_level[j2] && (chain.par[j1] == chain.par[j2]) && (!((chain.Str_L[j1] + chain.Str_L[j2])%2)))
if (Zero_at_level[j1] && Zero_at_level[j2] && (chain.par[j1] == chain.par[j2])
&& (!((chain.Str_L[j1] + chain.Str_L[j2])%2)))
string_coincidence = true;
}
bool M_odd_and_onep_on_zero = false;
if (option == 'z') { // for Sz, if M is odd, exclude symmetric states with a 1+ on zero
// (zero rapidities in left and right states, so FF det not defined).
bool is_ground_state = base.Nrap[0] == base.Mdown && Ix2[0][0] == -(base.Mdown - 1) && Ix2[0][base.Mdown-1] == base.Mdown - 1;
bool is_ground_state = base.Nrap[0] == base.Mdown && Ix2[0][0] == -(base.Mdown - 1)
&& Ix2[0][base.Mdown-1] == base.Mdown - 1;
if (Zero_at_level[0] && (base.Mdown % 2) && !is_ground_state) M_odd_and_onep_on_zero = true;
}
@ -197,12 +206,14 @@ namespace ABACUS {
if (Zero_at_level[0] && Zero_at_level[1]) onep_onem_on_zero = true;
}
answer = !(symmetric_state && (higher_string_on_zero || string_coincidence || onep_onem_on_zero || M_odd_and_onep_on_zero));
answer = !(symmetric_state && (higher_string_on_zero || string_coincidence
|| onep_onem_on_zero || M_odd_and_onep_on_zero));
// Now check that no Ix2 is equal to +N (since we take -N into account, and I + N == I by periodicity of exp)
for (int j = 0; j < chain.Nstrings; ++j)
for (int alpha = 0; alpha < base[j]; ++alpha) if ((Ix2[j][alpha] < -chain.Nsites) || (Ix2[j][alpha] >= chain.Nsites)) answer = false;
for (int alpha = 0; alpha < base[j]; ++alpha)
if ((Ix2[j][alpha] < -chain.Nsites) || (Ix2[j][alpha] >= chain.Nsites)) answer = false;
if (!answer) {
E = 0.0;
@ -226,15 +237,21 @@ namespace ABACUS {
for (int beta = 0; beta < base[k]; ++beta) {
if ((chain.Str_L[j] == 1) && (chain.Str_L[k] == 1))
sumtheta += (chain.par[j] == chain.par[k])
? atan((tanhlambda[j][alpha] - tanhlambda[k][beta])/((1.0 - tanhlambda[j][alpha] * tanhlambda[k][beta]) * chain.ta_n_anis_over_2[2]))
: - atan(((tanhlambda[j][alpha] - tanhlambda[k][beta])/(1.0 - tanhlambda[j][alpha] * tanhlambda[k][beta])) * chain.ta_n_anis_over_2[2]) ;
else sumtheta += 0.5 * ODSLF_Theta_XXZ((tanhlambda[j][alpha] - tanhlambda[k][beta])/(1.0 - tanhlambda[j][alpha] * tanhlambda[k][beta]),
chain.Str_L[j], chain.Str_L[k], chain.par[j], chain.par[k], chain.ta_n_anis_over_2);
? atan((tanhlambda[j][alpha] - tanhlambda[k][beta])
/((1.0 - tanhlambda[j][alpha] * tanhlambda[k][beta]) * chain.ta_n_anis_over_2[2]))
: - atan(((tanhlambda[j][alpha] - tanhlambda[k][beta])
/(1.0 - tanhlambda[j][alpha] * tanhlambda[k][beta])) * chain.ta_n_anis_over_2[2]) ;
else sumtheta += 0.5 * ODSLF_Theta_XXZ((tanhlambda[j][alpha] - tanhlambda[k][beta])
/(1.0 - tanhlambda[j][alpha] * tanhlambda[k][beta]),
chain.Str_L[j], chain.Str_L[k], chain.par[j], chain.par[k],
chain.ta_n_anis_over_2);
}
sumtheta *= 2.0;
BE[j][alpha] = ((chain.par[j] == 1) ? 2.0 * atan(tanhlambda[j][alpha]/chain.ta_n_anis_over_2[chain.Str_L[j]])
: -2.0 * atan(tanhlambda[j][alpha] * chain.ta_n_anis_over_2[chain.Str_L[j]])) - (sumtheta + PI*Ix2[j][alpha])/chain.Nsites;
BE[j][alpha] =
((chain.par[j] == 1) ? 2.0 * atan(tanhlambda[j][alpha]/chain.ta_n_anis_over_2[chain.Str_L[j]])
: -2.0 * atan(tanhlambda[j][alpha] * chain.ta_n_anis_over_2[chain.Str_L[j]]))
- (sumtheta + PI*Ix2[j][alpha])/chain.Nsites;
}
@ -254,17 +271,22 @@ namespace ABACUS {
for (int beta = 0; beta < base[k]; ++beta) {
if ((chain.Str_L[j] == 1) && (chain.Str_L[k] == 1))
sumtheta += (chain.par[j] == chain.par[k])
? atan((tanhlambda[j][alpha] - tanhlambda[k][beta])/((1.0 - tanhlambda[j][alpha] * tanhlambda[k][beta]) * chain.ta_n_anis_over_2[2]))
: - atan(((tanhlambda[j][alpha] - tanhlambda[k][beta])/(1.0 - tanhlambda[j][alpha] * tanhlambda[k][beta])) * chain.ta_n_anis_over_2[2]) ;
else sumtheta += 0.5 * ODSLF_Theta_XXZ((tanhlambda[j][alpha] - tanhlambda[k][beta])/(1.0 - tanhlambda[j][alpha] * tanhlambda[k][beta]),
chain.Str_L[j], chain.Str_L[k], chain.par[j], chain.par[k], chain.ta_n_anis_over_2);
? atan((tanhlambda[j][alpha] - tanhlambda[k][beta])
/((1.0 - tanhlambda[j][alpha] * tanhlambda[k][beta]) * chain.ta_n_anis_over_2[2]))
: - atan(((tanhlambda[j][alpha] - tanhlambda[k][beta])
/(1.0 - tanhlambda[j][alpha] * tanhlambda[k][beta])) * chain.ta_n_anis_over_2[2]) ;
else sumtheta += 0.5 * ODSLF_Theta_XXZ((tanhlambda[j][alpha] - tanhlambda[k][beta])
/(1.0 - tanhlambda[j][alpha] * tanhlambda[k][beta]),
chain.Str_L[j], chain.Str_L[k], chain.par[j], chain.par[k],
chain.ta_n_anis_over_2);
}
sumtheta *= 2.0;
BE[j][alpha] = ((chain.par[j] == 1) ? 2.0 * atan(tanhlambda[j][alpha]/chain.ta_n_anis_over_2[chain.Str_L[j]])
: -2.0 * atan(tanhlambda[j][alpha] * chain.ta_n_anis_over_2[chain.Str_L[j]])) - (sumtheta + PI*Ix2[j][alpha])/chain.Nsites;
BE[j][alpha] =
((chain.par[j] == 1) ? 2.0 * atan(tanhlambda[j][alpha]/chain.ta_n_anis_over_2[chain.Str_L[j]])
: -2.0 * atan(tanhlambda[j][alpha] * chain.ta_n_anis_over_2[chain.Str_L[j]]))
- (sumtheta + PI*Ix2[j][alpha])/chain.Nsites;
//if (is_nan(BE[j][alpha])) cout << "BE nan: " << j << "\t" << alpha << "\t" << lambda[j][alpha] << "\t" << tanhlambda[j][alpha] << endl;
}
}
@ -282,8 +304,8 @@ namespace ABACUS {
(2.0 * atan(tanhlambda[j][alpha]/chain.ta_n_anis_over_2[chain.Str_L[j]]) - BE[j][alpha])
);
else if (chain.par[j] == -1) arg = -tan(0.5 *
//(PI * Ix2[j][alpha] + sumtheta)/chain.Nsites)
else if (chain.par[j] == -1)
arg = -tan(0.5 *
(-2.0 * atan(tanhlambda[j][alpha] * chain.ta_n_anis_over_2[chain.Str_L[j]]) - BE[j][alpha]))
/chain.ta_n_anis_over_2[chain.Str_L[j]];
@ -305,21 +327,26 @@ namespace ABACUS {
for (int beta = 0; beta < base[k]; ++beta)
if ((chain.Str_L[j] == 1) && (chain.Str_L[k] == 1))
sumtheta += (chain.par[j] == chain.par[k])
? atan((new_tanhlambda - tanhlambda[k][beta])/((1.0 - new_tanhlambda * tanhlambda[k][beta]) * chain.ta_n_anis_over_2[2]))
: - atan(((new_tanhlambda - tanhlambda[k][beta])/(1.0 - new_tanhlambda * tanhlambda[k][beta])) * chain.ta_n_anis_over_2[2]) ;
else sumtheta += 0.5 * ODSLF_Theta_XXZ((new_tanhlambda - tanhlambda[k][beta])/(1.0 - new_tanhlambda * tanhlambda[k][beta]),
chain.Str_L[j], chain.Str_L[k], chain.par[j], chain.par[k], chain.ta_n_anis_over_2);
? atan((new_tanhlambda - tanhlambda[k][beta])
/((1.0 - new_tanhlambda * tanhlambda[k][beta]) * chain.ta_n_anis_over_2[2]))
: - atan(((new_tanhlambda - tanhlambda[k][beta])
/(1.0 - new_tanhlambda * tanhlambda[k][beta])) * chain.ta_n_anis_over_2[2]) ;
else sumtheta += 0.5 * ODSLF_Theta_XXZ((new_tanhlambda - tanhlambda[k][beta])
/(1.0 - new_tanhlambda * tanhlambda[k][beta]),
chain.Str_L[j], chain.Str_L[k], chain.par[j], chain.par[k],
chain.ta_n_anis_over_2);
}
sumtheta *= 2.0;
if (chain.par[j] == 1) arg = chain.ta_n_anis_over_2[chain.Str_L[j]] * tan(0.5 * (PI * Ix2[j][alpha] + sumtheta)/chain.Nsites);
if (chain.par[j] == 1)
arg = chain.ta_n_anis_over_2[chain.Str_L[j]] * tan(0.5 * (PI * Ix2[j][alpha] + sumtheta)/chain.Nsites);
else if (chain.par[j] == -1) arg = -tan(0.5 * (PI * Ix2[j][alpha] + sumtheta)/chain.Nsites)/chain.ta_n_anis_over_2[chain.Str_L[j]];
else if (chain.par[j] == -1)
arg = -tan(0.5 * (PI * Ix2[j][alpha] + sumtheta)/chain.Nsites)/chain.ta_n_anis_over_2[chain.Str_L[j]];
else ABACUSerror("Invalid parities in Iterate_BAE.");
}
//cout << "Rapidity blows up !\t" << lambda[j][alpha] << "\t" << new_lambda << endl;
}
return(new_lambda);
@ -341,7 +368,8 @@ namespace ABACUS {
for (int j = 0; j < chain.Nstrings; ++j) {
for (int alpha = 0; alpha < base[j]; ++alpha) {
sum += sin(chain.Str_L[j] * chain.anis) / (chain.par[j] * cosh(2.0 * lambda[j][alpha]) - cos(chain.Str_L[j] * chain.anis));
sum += sin(chain.Str_L[j] * chain.anis)
/ (chain.par[j] * cosh(2.0 * lambda[j][alpha]) - cos(chain.Str_L[j] * chain.anis));
}
}
@ -352,32 +380,6 @@ namespace ABACUS {
return;
}
/*
void XXZ_Bethe_State::Compute_Momentum ()
{
int sum_Ix2 = 0;
DP sum_M = 0.0;
for (int j = 0; j < chain.Nstrings; ++j) {
sum_M += 0.5 * (1.0 + chain.par[j]) * base[j];
for (int alpha = 0; alpha < base[j]; ++alpha) {
sum_Ix2 += Ix2[j][alpha];
}
}
iK = (chain.Nsites/2) * int(sum_M + 0.1) - (sum_Ix2/2); // + 0.1: for safety...
while (iK >= chain.Nsites) iK -= chain.Nsites;
while (iK < 0) iK += chain.Nsites;
K = PI * sum_M - PI * sum_Ix2/chain.Nsites;
while (K >= 2.0*PI) K -= 2.0*PI;
while (K < 0.0) K += 2.0*PI;
return;
}
*/
void ODSLF_XXZ_Bethe_State::Build_Reduced_Gaudin_Matrix (SQMat<complex<DP> >& Gaudin_Red)
{
@ -408,25 +410,29 @@ namespace ABACUS {
for (int betap = 0; betap < base[kp]; ++betap) {
if (!((j == kp) && (alpha == betap)))
sum_hbar_XXZ
+= ODSLF_ddlambda_Theta_XXZ (lambda[j][alpha] - lambda[kp][betap], chain.Str_L[j], chain.Str_L[kp], chain.par[j], chain.par[kp],
chain.si_n_anis_over_2);
+= ODSLF_ddlambda_Theta_XXZ (lambda[j][alpha] - lambda[kp][betap], chain.Str_L[j], chain.Str_L[kp],
chain.par[j], chain.par[kp], chain.si_n_anis_over_2);
}
}
Gaudin_Red[index_jalpha][index_kbeta]
= complex<DP> ( chain.Nsites * ODSLF_hbar_XXZ (lambda[j][alpha], chain.Str_L[j], chain.par[j], chain.si_n_anis_over_2) - sum_hbar_XXZ);
= complex<DP> ( chain.Nsites * ODSLF_hbar_XXZ (lambda[j][alpha], chain.Str_L[j], chain.par[j],
chain.si_n_anis_over_2) - sum_hbar_XXZ);
}
else {
if ((chain.Str_L[j] == 1) && (chain.Str_L[k] == 1))
Gaudin_Red[index_jalpha][index_kbeta] =
complex<DP> ((chain.par[j] * chain.par[k] == 1)
? chain.si_n_anis_over_2[4]/(pow(sinhlambda[j][alpha] * coshlambda[k][beta]
? chain.si_n_anis_over_2[4]
/(pow(sinhlambda[j][alpha] * coshlambda[k][beta]
- coshlambda[j][alpha] * sinhlambda[k][beta], 2.0) + sinzetasq)
: chain.si_n_anis_over_2[4]/(-pow(coshlambda[j][alpha] * coshlambda[k][beta]
: chain.si_n_anis_over_2[4]
/(-pow(coshlambda[j][alpha] * coshlambda[k][beta]
- sinhlambda[j][alpha] * sinhlambda[k][beta], 2.0) + sinzetasq) );
else
Gaudin_Red[index_jalpha][index_kbeta] = complex<DP> (ODSLF_ddlambda_Theta_XXZ (lambda[j][alpha] - lambda[k][beta], chain.Str_L[j], chain.Str_L[k],
Gaudin_Red[index_jalpha][index_kbeta] =
complex<DP> (ODSLF_ddlambda_Theta_XXZ (lambda[j][alpha] - lambda[k][beta], chain.Str_L[j], chain.Str_L[k],
chain.par[j], chain.par[k], chain.si_n_anis_over_2));
}
index_kbeta++;
@ -465,7 +471,8 @@ namespace ABACUS {
result = (nj == nk) ? 0.0 : ODSLF_fbar_XXZ(tanhlambda, parj*park, tannzetaover2[fabs(nj - nk)]);
for (int a = 1; a < ABACUS::min(nj, nk); ++a) result += 2.0 * ODSLF_fbar_XXZ(tanhlambda, parj*park, tannzetaover2[fabs(nj - nk) + 2*a]);
for (int a = 1; a < ABACUS::min(nj, nk); ++a)
result += 2.0 * ODSLF_fbar_XXZ(tanhlambda, parj*park, tannzetaover2[fabs(nj - nk) + 2*a]);
result += ODSLF_fbar_XXZ(tanhlambda, parj*park, tannzetaover2[nj + nk]);
}
@ -490,7 +497,8 @@ namespace ABACUS {
{
DP result = (nj == nk) ? 0.0 : ODSLF_hbar_XXZ(lambda, fabs(nj - nk), parj*park, si_n_anis_over_2);
for (int a = 1; a < ABACUS::min(nj, nk); ++a) result += 2.0 * ODSLF_hbar_XXZ(lambda, fabs(nj - nk) + 2*a, parj*park, si_n_anis_over_2);
for (int a = 1; a < ABACUS::min(nj, nk); ++a)
result += 2.0 * ODSLF_hbar_XXZ(lambda, fabs(nj - nk) + 2*a, parj*park, si_n_anis_over_2);
result += ODSLF_hbar_XXZ(lambda, nj + nk, parj*park, si_n_anis_over_2);

108
src/ODSLF/ln_Smin_ME_ODSLF_XXZ.cc
View File

@ -18,8 +18,8 @@ using namespace ABACUS;
namespace ABACUS {
inline complex<DP> ln_Fn_F (ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
{
inline complex<DP> ln_Fn_F (ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
{
complex<DP> ans = 0.0;
complex<DP> prod_temp = 1.0;
int counter = 0;
@ -39,20 +39,15 @@ inline complex<DP> ln_Fn_F (ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
arg = B.chain.Str_L[j] - B.chain.Str_L[k] - 2 * (a - b);
absarg = abs(arg);
/*
prod_temp *= 0.5 * //done later...
((B.sinhlambda[j][alpha] * B.coshlambda[k][beta] - B.coshlambda[j][alpha] * B.sinhlambda[k][beta])
* (B.chain.co_n_anis_over_2[absarg] * (1.0 + B.chain.par[j] * B.chain.par[k])
- sgn_int(arg) * B.chain.si_n_anis_over_2[absarg] * (B.chain.par[k] - B.chain.par[j]))
+ II * (B.coshlambda[j][alpha] * B.coshlambda[k][beta] - B.sinhlambda[j][alpha] * B.sinhlambda[k][beta])
* (sgn_int(arg) * B.chain.si_n_anis_over_2[absarg] * (1.0 + B.chain.par[j] * B.chain.par[k])
+ B.chain.co_n_anis_over_2[absarg] * (B.chain.par[k] - B.chain.par[j])) );
*/
prod_temp *= ((B.sinhlambda[j][alpha] * B.coshlambda[k][beta] - B.coshlambda[j][alpha] * B.sinhlambda[k][beta])
* (B.chain.co_n_anis_over_2[absarg] * par_comb_1 - sgn_int(arg) * B.chain.si_n_anis_over_2[absarg] * par_comb_2)
+ II * (B.coshlambda[j][alpha] * B.coshlambda[k][beta] - B.sinhlambda[j][alpha] * B.sinhlambda[k][beta])
* (sgn_int(arg) * B.chain.si_n_anis_over_2[absarg] * par_comb_1 + B.chain.co_n_anis_over_2[absarg] * par_comb_2));
prod_temp *= ((B.sinhlambda[j][alpha] * B.coshlambda[k][beta]
- B.coshlambda[j][alpha] * B.sinhlambda[k][beta])
* (B.chain.co_n_anis_over_2[absarg] * par_comb_1
- sgn_int(arg) * B.chain.si_n_anis_over_2[absarg] * par_comb_2)
+ II * (B.coshlambda[j][alpha] * B.coshlambda[k][beta]
- B.sinhlambda[j][alpha] * B.sinhlambda[k][beta])
* (sgn_int(arg) * B.chain.si_n_anis_over_2[absarg] * par_comb_1
+ B.chain.co_n_anis_over_2[absarg] * par_comb_2));
}
if (counter++ > 100) { // we do at most 100 products before taking a log
@ -64,10 +59,10 @@ inline complex<DP> ln_Fn_F (ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
}}}
return(ans + log(prod_temp));
}
}
inline complex<DP> ln_Fn_G (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
{
inline complex<DP> ln_Fn_G (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
{
complex<DP> ans = 0.0;
complex<DP> prod_temp = 1.0;
int counter = 0;
@ -85,19 +80,14 @@ inline complex<DP> ln_Fn_G (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B,
arg = A.chain.Str_L[j] - B.chain.Str_L[k] - 2 * (a - b);
absarg = abs(arg);
/*
prod_temp *= 0.5 * //done later...
((A.sinhlambda[j][alpha] * B.coshlambda[k][beta] - A.coshlambda[j][alpha] * B.sinhlambda[k][beta])
* (A.chain.co_n_anis_over_2[absarg] * (1.0 + A.chain.par[j] * B.chain.par[k])
- sgn_int(arg) * A.chain.si_n_anis_over_2[absarg] * (B.chain.par[k] - A.chain.par[j]))
+ II * (A.coshlambda[j][alpha] * B.coshlambda[k][beta] - A.sinhlambda[j][alpha] * B.sinhlambda[k][beta])
* (sgn_int(arg) * A.chain.si_n_anis_over_2[absarg] * (1.0 + A.chain.par[j] * B.chain.par[k])
+ A.chain.co_n_anis_over_2[absarg] * (B.chain.par[k] - A.chain.par[j])) );
*/
prod_temp *= ((A.sinhlambda[j][alpha] * B.coshlambda[k][beta] - A.coshlambda[j][alpha] * B.sinhlambda[k][beta])
* (A.chain.co_n_anis_over_2[absarg] * par_comb_1 - sgn_int(arg) * A.chain.si_n_anis_over_2[absarg] * par_comb_2)
+ II * (A.coshlambda[j][alpha] * B.coshlambda[k][beta] - A.sinhlambda[j][alpha] * B.sinhlambda[k][beta])
* (sgn_int(arg) * A.chain.si_n_anis_over_2[absarg] * par_comb_1 + A.chain.co_n_anis_over_2[absarg] * par_comb_2));
prod_temp *= ((A.sinhlambda[j][alpha] * B.coshlambda[k][beta]
- A.coshlambda[j][alpha] * B.sinhlambda[k][beta])
* (A.chain.co_n_anis_over_2[absarg] * par_comb_1
- sgn_int(arg) * A.chain.si_n_anis_over_2[absarg] * par_comb_2)
+ II * (A.coshlambda[j][alpha] * B.coshlambda[k][beta]
- A.sinhlambda[j][alpha] * B.sinhlambda[k][beta])
* (sgn_int(arg) * A.chain.si_n_anis_over_2[absarg] * par_comb_1
+ A.chain.co_n_anis_over_2[absarg] * par_comb_2));
if (counter++ > 100) { // we do at most 100 products before taking a log
ans += log(prod_temp);
@ -107,10 +97,11 @@ inline complex<DP> ln_Fn_G (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B,
}}}
return(ans + log(prod_temp));
}
}
inline complex<DP> Fn_K (ODSLF_XXZ_Bethe_State& A, int j, int alpha, int a, ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
{
inline complex<DP> Fn_K (ODSLF_XXZ_Bethe_State& A, int j, int alpha, int a,
ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
{
int arg1 = A.chain.Str_L[j] - B.chain.Str_L[k] - 2 * (a - b);
int absarg1 = abs(arg1);
int arg2 = arg1 + 2;
@ -132,28 +123,31 @@ inline complex<DP> Fn_K (ODSLF_XXZ_Bethe_State& A, int j, int alpha, int a, ODSL
+ A.chain.co_n_anis_over_2[absarg2] * (B.chain.par[k] - A.chain.par[j])) )
));
}
}
inline complex<DP> Fn_L (ODSLF_XXZ_Bethe_State& A, int j, int alpha, int a, ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
{
inline complex<DP> Fn_L (ODSLF_XXZ_Bethe_State& A, int j, int alpha, int a,
ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
{
return (sinh(2.0 * (A.lambda[j][alpha] - B.lambda[k][beta]
+ 0.5 * II * B.chain.anis * (A.chain.Str_L[j] - B.chain.Str_L[k] - 2.0 * (a - b - 0.5))
+ 0.25 * II * PI * complex<DP>(-A.chain.par[j] + B.chain.par[k])))
* pow(Fn_K (A, j, alpha, a, B, k, beta, b), 2.0));
}
}
complex<DP> ln_Smin_ME (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B)
{
complex<DP> ln_Smin_ME (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B)
{
// This function returns the natural log of the S^- operator matrix element.
// The A and B states can contain strings.
// Check that the two states are compatible
if (A.chain != B.chain) ABACUSerror("Incompatible ODSLF_XXZ_Chains in Smin matrix element.");
if (A.chain != B.chain)
ABACUSerror("Incompatible ODSLF_XXZ_Chains in Smin matrix element.");
// Check that A and B are Mdown-compatible:
if (A.base.Mdown != B.base.Mdown + 1) ABACUSerror("Incompatible Mdown between the two states in Smin matrix element!");
if (A.base.Mdown != B.base.Mdown + 1)
ABACUSerror("Incompatible Mdown between the two states in Smin matrix element!");
// Compute the sinh and cosh of rapidities
@ -245,7 +239,8 @@ complex<DP> ln_Smin_ME (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B)
index_b = 0;
one_over_A_sinhlambda_sq_plus_sinzetaover2sq = 1.0/((sinh(A.lambda[j][alpha] + 0.5 * II * A.chain.anis * (A.chain.Str_L[j] + 1.0 - 2.0 * a)
one_over_A_sinhlambda_sq_plus_sinzetaover2sq =
1.0/((sinh(A.lambda[j][alpha] + 0.5 * II * A.chain.anis * (A.chain.Str_L[j] + 1.0 - 2.0 * a)
+ 0.25 * II * PI * (1.0 - A.chain.par[j])))
* (sinh(A.lambda[j][alpha] + 0.5 * II * A.chain.anis * (A.chain.Str_L[j] + 1.0 - 2.0 * a)
+ 0.25 * II * PI * (1.0 - A.chain.par[j])))
@ -265,11 +260,15 @@ complex<DP> ln_Smin_ME (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B)
exp(re_ln_Fn_G_2[k][beta] + II * im_ln_Fn_G_2[k][beta] - re_ln_Fn_F_B_0[k][beta] + logabssinzeta);
Prod_powerN = pow( B.chain.par[k] == 1 ?
(B.sinhlambda[k][beta] * B.chain.co_n_anis_over_2[1] + II * B.coshlambda[k][beta] * B.chain.si_n_anis_over_2[1])
/(B.sinhlambda[k][beta] * B.chain.co_n_anis_over_2[1] - II * B.coshlambda[k][beta] * B.chain.si_n_anis_over_2[1])
(B.sinhlambda[k][beta] * B.chain.co_n_anis_over_2[1]
+ II * B.coshlambda[k][beta] * B.chain.si_n_anis_over_2[1])
/(B.sinhlambda[k][beta] * B.chain.co_n_anis_over_2[1]
- II * B.coshlambda[k][beta] * B.chain.si_n_anis_over_2[1])
:
(B.coshlambda[k][beta] * B.chain.co_n_anis_over_2[1] + II * B.sinhlambda[k][beta] * B.chain.si_n_anis_over_2[1])
/(B.coshlambda[k][beta] * B.chain.co_n_anis_over_2[1] - II * B.sinhlambda[k][beta] * B.chain.si_n_anis_over_2[1])
(B.coshlambda[k][beta] * B.chain.co_n_anis_over_2[1]
+ II * B.sinhlambda[k][beta] * B.chain.si_n_anis_over_2[1])
/(B.coshlambda[k][beta] * B.chain.co_n_anis_over_2[1]
- II * B.sinhlambda[k][beta] * B.chain.si_n_anis_over_2[1])
, complex<DP> (B.chain.Nsites));
Hm[index_a][index_b] = Fn_K_0_G_0 - (1.0 - 2.0 * (B.base.Mdown % 2)) * // MODIF from XXZ
@ -290,7 +289,8 @@ complex<DP> ln_Smin_ME (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B)
sum1 = 0.0;
sum1 += Fn_K (A, j, alpha, a, B, k, beta, 0) * exp(ln_FunctionG[0] + ln_FunctionG[1] - ln_FunctionF[0] - ln_FunctionF[1]);
sum1 += Fn_K (A, j, alpha, a, B, k, beta, 0)
* exp(ln_FunctionG[0] + ln_FunctionG[1] - ln_FunctionF[0] - ln_FunctionF[1]);
sum1 += (1.0 - 2.0 * (B.base.Mdown % 2)) * // MODIF from XXZ
Fn_K (A, j, alpha, a, B, k, beta, B.chain.Str_L[k])
@ -302,13 +302,8 @@ complex<DP> ln_Smin_ME (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B)
sum1 -= Fn_L (A, j, alpha, a, B, k, beta, jsum) *
exp(ln_FunctionG[jsum] + ln_FunctionG[jsum + 1] - ln_FunctionF[jsum] - ln_FunctionF[jsum + 1]);
/*
sum2 = 0.0;
for (int jsum = 1; jsum <= B.chain.Str_L[k]; ++jsum) sum2 += exp(ln_FunctionG[jsum] - ln_FunctionF[jsum]);
*/
prod_num = exp(II * im_ln_Fn_F_B_0[k][beta] + ln_FunctionF[1] - ln_FunctionG[B.chain.Str_L[k]] + logabssinzeta);
prod_num = exp(II * im_ln_Fn_F_B_0[k][beta] + ln_FunctionF[1]
- ln_FunctionG[B.chain.Str_L[k]] + logabssinzeta);
for (int jsum = 2; jsum <= B.chain.Str_L[k]; ++jsum)
prod_num *= exp(ln_FunctionG[jsum] - real(ln_Fn_F(B, k, beta, jsum - 1)) + logabssinzeta);
@ -332,9 +327,8 @@ complex<DP> ln_Smin_ME (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B)
complex<DP> ln_ME_sq = log(1.0 * A.chain.Nsites) + real(ln_prod1 - ln_prod2) - real(ln_prod3) + real(ln_prod4)
+ 2.0 * real(lndet_LU_CX_dstry(Hm)) + logabssinzeta - A.lnnorm - B.lnnorm;
//return(ln_ME_sq);
return(0.5 * ln_ME_sq); // Return ME, not MEsq
}
}
} // namespace ABACUS

111
src/ODSLF/ln_Sz_ME_ODSLF_XXZ.cc
View File

@ -18,8 +18,8 @@ using namespace ABACUS;
namespace ABACUS {
inline complex<DP> ln_Fn_F (ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
{
inline complex<DP> ln_Fn_F (ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
{
complex<DP> ans = 0.0;
complex<DP> prod_temp = 1.0;
int counter = 0;
@ -40,20 +40,14 @@ inline complex<DP> ln_Fn_F (ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
arg = B.chain.Str_L[j] - B.chain.Str_L[k] - 2 * (a - b);
absarg = abs(arg);
/*
prod_temp *= 0.5 *
((B.sinhlambda[j][alpha] * B.coshlambda[k][beta] - B.coshlambda[j][alpha] * B.sinhlambda[k][beta])
* (B.chain.co_n_anis_over_2[absarg] * (1.0 + B.chain.par[j] * B.chain.par[k])
- sgn_int(arg) * B.chain.si_n_anis_over_2[absarg] * (B.chain.par[k] - B.chain.par[j]))
+ II * (B.coshlambda[j][alpha] * B.coshlambda[k][beta] - B.sinhlambda[j][alpha] * B.sinhlambda[k][beta])
* (sgn_int(arg)
* B.chain.si_n_anis_over_2[absarg] * (1.0 + B.chain.par[j] * B.chain.par[k])
+ B.chain.co_n_anis_over_2[absarg] * (B.chain.par[k] - B.chain.par[j])) );
*/
prod_temp *= ((B.sinhlambda[j][alpha] * B.coshlambda[k][beta] - B.coshlambda[j][alpha] * B.sinhlambda[k][beta])
* (B.chain.co_n_anis_over_2[absarg] * par_comb_1 - sgn_int(arg) * B.chain.si_n_anis_over_2[absarg] * par_comb_2)
+ II * (B.coshlambda[j][alpha] * B.coshlambda[k][beta] - B.sinhlambda[j][alpha] * B.sinhlambda[k][beta])
* (sgn_int(arg) * B.chain.si_n_anis_over_2[absarg] * par_comb_1 + B.chain.co_n_anis_over_2[absarg] * par_comb_2));
prod_temp *= ((B.sinhlambda[j][alpha] * B.coshlambda[k][beta]
- B.coshlambda[j][alpha] * B.sinhlambda[k][beta])
* (B.chain.co_n_anis_over_2[absarg] * par_comb_1
- sgn_int(arg) * B.chain.si_n_anis_over_2[absarg] * par_comb_2)
+ II * (B.coshlambda[j][alpha] * B.coshlambda[k][beta]
- B.sinhlambda[j][alpha] * B.sinhlambda[k][beta])
* (sgn_int(arg) * B.chain.si_n_anis_over_2[absarg] * par_comb_1
+ B.chain.co_n_anis_over_2[absarg] * par_comb_2));
}
@ -66,10 +60,10 @@ inline complex<DP> ln_Fn_F (ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
}}}
return(ans + log(prod_temp));
}
}
inline complex<DP> ln_Fn_G (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
{
inline complex<DP> ln_Fn_G (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
{
complex<DP> ans = 0.0;
complex<DP> prod_temp = 1.0;
int counter = 0;
@ -89,19 +83,14 @@ inline complex<DP> ln_Fn_G (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B,
arg = A.chain.Str_L[j] - B.chain.Str_L[k] - 2 * (a - b);
absarg = abs(arg);
/*
prod_temp *= 0.5 *
((A.sinhlambda[j][alpha] * B.coshlambda[k][beta] - A.coshlambda[j][alpha] * B.sinhlambda[k][beta])
* (A.chain.co_n_anis_over_2[absarg] * (1.0 + A.chain.par[j] * B.chain.par[k])
- sgn_int(arg) * A.chain.si_n_anis_over_2[absarg] * (B.chain.par[k] - A.chain.par[j]))
+ II * (A.coshlambda[j][alpha] * B.coshlambda[k][beta] - A.sinhlambda[j][alpha] * B.sinhlambda[k][beta])
* (sgn_int(arg) * A.chain.si_n_anis_over_2[absarg] * (1.0 + A.chain.par[j] * B.chain.par[k])
+ A.chain.co_n_anis_over_2[absarg] * (B.chain.par[k] - A.chain.par[j])) );
*/
prod_temp *= ((A.sinhlambda[j][alpha] * B.coshlambda[k][beta] - A.coshlambda[j][alpha] * B.sinhlambda[k][beta])
* (A.chain.co_n_anis_over_2[absarg] * par_comb_1 - sgn_int(arg) * A.chain.si_n_anis_over_2[absarg] * par_comb_2)
+ II * (A.coshlambda[j][alpha] * B.coshlambda[k][beta] - A.sinhlambda[j][alpha] * B.sinhlambda[k][beta])
* (sgn_int(arg) * A.chain.si_n_anis_over_2[absarg] * par_comb_1 + A.chain.co_n_anis_over_2[absarg] * par_comb_2));
prod_temp *= ((A.sinhlambda[j][alpha] * B.coshlambda[k][beta]
- A.coshlambda[j][alpha] * B.sinhlambda[k][beta])
* (A.chain.co_n_anis_over_2[absarg] * par_comb_1
- sgn_int(arg) * A.chain.si_n_anis_over_2[absarg] * par_comb_2)
+ II * (A.coshlambda[j][alpha] * B.coshlambda[k][beta]
- A.sinhlambda[j][alpha] * B.sinhlambda[k][beta])
* (sgn_int(arg) * A.chain.si_n_anis_over_2[absarg] * par_comb_1
+ A.chain.co_n_anis_over_2[absarg] * par_comb_2));
if (counter++ > 100) { // we do at most 100 products before taking a log
ans += log(prod_temp);
@ -111,10 +100,11 @@ inline complex<DP> ln_Fn_G (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B,
}}}
return(ans + log(prod_temp));
}
}
inline complex<DP> Fn_K (ODSLF_XXZ_Bethe_State& A, int j, int alpha, int a, ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
{
inline complex<DP> Fn_K (ODSLF_XXZ_Bethe_State& A, int j, int alpha, int a,
ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
{
int arg1 = A.chain.Str_L[j] - B.chain.Str_L[k] - 2 * (a - b);
int absarg1 = abs(arg1);
int arg2 = arg1 + 2;
@ -136,28 +126,31 @@ inline complex<DP> Fn_K (ODSLF_XXZ_Bethe_State& A, int j, int alpha, int a, ODSL
+ A.chain.co_n_anis_over_2[absarg2] * (B.chain.par[k] - A.chain.par[j])) )
));
}
}
inline complex<DP> Fn_L (ODSLF_XXZ_Bethe_State& A, int j, int alpha, int a, ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
{
inline complex<DP> Fn_L (ODSLF_XXZ_Bethe_State& A, int j, int alpha, int a,
ODSLF_XXZ_Bethe_State& B, int k, int beta, int b)
{
return (sinh(2.0 * (A.lambda[j][alpha] - B.lambda[k][beta]
+ 0.5 * II * B.chain.anis * (A.chain.Str_L[j] - B.chain.Str_L[k] - 2.0 * (a - b - 0.5))
+ 0.25 * II * PI * complex<DP>(-A.chain.par[j] + B.chain.par[k])))
* pow(Fn_K (A, j, alpha, a, B, k, beta, b), 2.0));
}
}
complex<DP> ln_Sz_ME (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B)
{
complex<DP> ln_Sz_ME (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B)
{
// This function returns the natural log of the S^z operator matrix element.
// The A and B states can contain strings.
// Check that the two states refer to the same XXZ_Chain
if (A.chain != B.chain) ABACUSerror("Incompatible ODSLF_XXZ_Chains in Sz matrix element.");
if (A.chain != B.chain)
ABACUSerror("Incompatible ODSLF_XXZ_Chains in Sz matrix element.");
// Check that A and B are compatible: same Mdown
if (A.base.Mdown != B.base.Mdown) ABACUSerror("Incompatible Mdown between the two states in Sz matrix element!");
if (A.base.Mdown != B.base.Mdown)
ABACUSerror("Incompatible Mdown between the two states in Sz matrix element!");
// Compute the sinh and cosh of rapidities
@ -250,7 +243,8 @@ complex<DP> ln_Sz_ME (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B)
index_b = 0;
two_over_A_sinhlambda_sq_plus_sinzetaover2sq = 2.0/((sinh(A.lambda[j][alpha] + 0.5 * II * A.chain.anis * (A.chain.Str_L[j] + 1.0 - 2.0 * a)
two_over_A_sinhlambda_sq_plus_sinzetaover2sq =
2.0/((sinh(A.lambda[j][alpha] + 0.5 * II * A.chain.anis * (A.chain.Str_L[j] + 1.0 - 2.0 * a)
+ 0.25 * II * PI * (1.0 - A.chain.par[j])))
* (sinh(A.lambda[j][alpha] + 0.5 * II * A.chain.anis * (A.chain.Str_L[j] + 1.0 - 2.0 * a)
+ 0.25 * II * PI * (1.0 - A.chain.par[j])))
@ -270,11 +264,15 @@ complex<DP> ln_Sz_ME (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B)
exp(re_ln_Fn_G_2[k][beta] + II * im_ln_Fn_G_2[k][beta] - re_ln_Fn_F_B_0[k][beta] + logabssinzeta);
Prod_powerN = pow( B.chain.par[k] == 1 ?
(B.sinhlambda[k][beta] * B.chain.co_n_anis_over_2[1] + II * B.coshlambda[k][beta] * B.chain.si_n_anis_over_2[1])
/(B.sinhlambda[k][beta] * B.chain.co_n_anis_over_2[1] - II * B.coshlambda[k][beta] * B.chain.si_n_anis_over_2[1])
(B.sinhlambda[k][beta] * B.chain.co_n_anis_over_2[1]
+ II * B.coshlambda[k][beta] * B.chain.si_n_anis_over_2[1])
/(B.sinhlambda[k][beta] * B.chain.co_n_anis_over_2[1]
- II * B.coshlambda[k][beta] * B.chain.si_n_anis_over_2[1])
:
(B.coshlambda[k][beta] * B.chain.co_n_anis_over_2[1] + II * B.sinhlambda[k][beta] * B.chain.si_n_anis_over_2[1])
/(B.coshlambda[k][beta] * B.chain.co_n_anis_over_2[1] - II * B.sinhlambda[k][beta] * B.chain.si_n_anis_over_2[1])
(B.coshlambda[k][beta] * B.chain.co_n_anis_over_2[1]
+ II * B.sinhlambda[k][beta] * B.chain.si_n_anis_over_2[1])
/(B.coshlambda[k][beta] * B.chain.co_n_anis_over_2[1]
- II * B.sinhlambda[k][beta] * B.chain.si_n_anis_over_2[1])
, complex<DP> (B.chain.Nsites));
Hm2P[index_a][index_b] = Fn_K_0_G_0 - (-1.0 + 2.0 * (B.base.Mdown % 2)) * // MODIF from XXZ
@ -296,7 +294,8 @@ complex<DP> ln_Sz_ME (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B)
sum1 = 0.0;
sum1 += Fn_K (A, j, alpha, a, B, k, beta, 0) * exp(ln_FunctionG[0] + ln_FunctionG[1] - ln_FunctionF[0] - ln_FunctionF[1]);
sum1 += Fn_K (A, j, alpha, a, B, k, beta, 0)
* exp(ln_FunctionG[0] + ln_FunctionG[1] - ln_FunctionF[0] - ln_FunctionF[1]);
sum1 += (-1.0 + 2.0 * (B.base.Mdown % 2)) * // MODIF from XXZ
Fn_K (A, j, alpha, a, B, k, beta, B.chain.Str_L[k])
@ -310,9 +309,11 @@ complex<DP> ln_Sz_ME (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B)
sum2 = 0.0;
for (int jsum = 1; jsum <= B.chain.Str_L[k]; ++jsum) sum2 += exp(ln_FunctionG[jsum] - ln_FunctionF[jsum]);
for (int jsum = 1; jsum <= B.chain.Str_L[k]; ++jsum)
sum2 += exp(ln_FunctionG[jsum] - ln_FunctionF[jsum]);
prod_num = exp(II * im_ln_Fn_F_B_0[k][beta] + ln_FunctionF[1] - ln_FunctionG[B.chain.Str_L[k]] + logabssinzeta);
prod_num = exp(II * im_ln_Fn_F_B_0[k][beta] + ln_FunctionF[1]
- ln_FunctionG[B.chain.Str_L[k]] + logabssinzeta);
for (int jsum = 2; jsum <= B.chain.Str_L[k]; ++jsum)
prod_num *= exp(ln_FunctionG[jsum] - real(ln_FunctionF[jsum - 1]) + logabssinzeta);
@ -331,14 +332,10 @@ complex<DP> ln_Sz_ME (ODSLF_XXZ_Bethe_State& A, ODSLF_XXZ_Bethe_State& B)
DP re_ln_det = real(lndet_LU_CX_dstry(Hm2P));
complex<DP> ln_ME_sq = log(0.25 * A.chain.Nsites) + real(ln_prod1 - ln_prod2) - real(ln_prod3) + real(ln_prod4)
+ 2.0 * /*real(lndet_LU_CX_dstry(Hm2P))*/ re_ln_det - A.lnnorm - B.lnnorm;
+ 2.0 * re_ln_det - A.lnnorm - B.lnnorm;
//cout << endl << ln_prod1 << "\t" << ln_prod2 << "\t" << ln_prod3 << "\t" << ln_prod4 << "\t" << A.lnnorm << "\t" << B.lnnorm
// << "\t" << re_ln_det << "\t" << ln_ME_sq << endl;
//return(ln_ME_sq);
return(0.5 * ln_ME_sq); // Return ME, not MEsq
}
}
} // namespace ABACUS

20
src/RICHARDSON/Richardson.cc
View File

@ -45,7 +45,6 @@ namespace ABACUS {
*/
complex<DP> discr = sqrt((1.0/g_int + sumoneovereps[j]) * (1.0/g_int + sumoneovereps[j]) - 4.0 * sumSovereps[j]);
//complex<DP> discr = sqrt(ABACUS::max(0.0, real((1.0/g_int + sumoneovereps[j]) * (1.0/g_int + sumoneovereps[j]) - 4.0 * sumSovereps[j])));
Sjleft = 0.5 * (1.0/g_int + sumoneovereps[j] - discr);
Sjright = 0.5 * (1.0/g_int + sumoneovereps[j] + discr);
return(true);
@ -93,8 +92,6 @@ namespace ABACUS {
// Re-solve for jmax:
if (Solve_Richardson_Quad_S (g_int, epsilon, sumoneovereps, S, sumSovereps, jmax, Sleft, Sright)) {
//if (leftroot[jmax] == true) S[jmax] = damping * Sleft + (1.0 - damping) * S[jmax];
//else S[jmax] = damping * Sright + (1.0 - damping) * S[jmax];
if (abs(S[jmax] - Sleft) < abs(S[jmax] - Sright)) S[jmax] = damping * Sleft + (1.0 - damping) * S[jmax];
else S[jmax] = damping * Sright + (1.0 - damping) * S[jmax];
}
@ -104,14 +101,11 @@ namespace ABACUS {
cout << " to " << S[jmax] << endl;
// Re-solve also for a random j, given by
//int jrand = int(maxabsLHSRE * 1.0e+6) % Nlevels;
int jrand = rand() % Nlevels;
cout << "identified jrand = " << jrand << endl;
cout << "S[jrand]: from " << S[jrand];
if (Solve_Richardson_Quad_S (g_int, epsilon, sumoneovereps, S, sumSovereps, jrand, Sleft, Sright)) {
//if (leftroot[jrand] == true) S[jrand] = damping * Sleft + (1.0 - damping) * S[jrand];
//else S[jrand] = damping * Sright + (1.0 - damping) * S[jrand];
if (abs(S[jrand] - Sleft) < abs(S[jrand] - Sright)) S[jrand] = damping * Sleft + (1.0 - damping) * S[jrand];
else S[jrand] = damping * Sright + (1.0 - damping) * S[jrand];
}
@ -120,18 +114,6 @@ namespace ABACUS {
}
cout << " to " << S[jrand] << endl;
/*
for (int j = 0; j < Nlevels; ++j) {
if (Solve_Richardson_Quad_S (g_int, epsilon, sumoneovereps, S, sumSovereps, j, Sleft, Sright)) {
if (leftroot[j] == true) S[j] = damping * Sleft + (1.0 - damping) * S[j];
else S[j] = damping * Sright + (1.0 - damping) * S[j];
}
else {
ABACUSerror("Complex root.");
}
}
*/
// Recalculate all sums:
for (int j = 0; j < Nlevels; ++j) {
sumSovereps[j] = 0.0;
@ -144,8 +126,6 @@ namespace ABACUS {
}
} // namespace ABACUS