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ABACUS-v1/src/LIEBLIN/LiebLin_Sumrules.cc
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J.-S. Caux 63cdd4250c Reorganization of headers (I): rename JSC -> ABACUS 
All files need to be changed to refer to new headers.
First step of the reorganization.
2018-02-10 14:33:07 +01:00

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/**********************************************************
This software is part of J.-S. Caux's ABACUS library.
Copyright (c) J.-S. Caux.
-----------------------------------------------------------
File: src/LIEBLIN/LiebLin_Sumrules.cc
Purpose: provides functions evaluating various sumrule factors
for Lieb-Liniger.
***********************************************************/
#include "ABACUS.h"
using namespace std;
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') {
// 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])
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;
else if (whichDSF == 'B') sumrule_factor = 1.0;
else if (whichDSF == 'C') sumrule_factor = 1.0;
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);
}
//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;
else ABACUSerror("whichDSF option not consistent in Sumrule_Factor");
}
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)
{
ifstream infile;
infile.open(RAW_Cstr);
if(infile.fail()) {
cout << "Filename RAW_Cstr = " << RAW_Cstr << endl;
ABACUSerror("Could not open input file in Evaluate_F_Sumrule(LiebLin...).");
}
// 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);
DP Sum_MEsq = 0.0;
DP omega, ME;
int iK;
//int conv;
DP dev;
string label;
int nr, nl;
int nraw = 0;
while (infile.peek() != EOF) {
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;
}
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)
// 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:
<< "\t" << ((i + iKmin <= 0 && -i < iKmax + 1) ?
0.5 * (Sum_omega_MEsq[i - iKmin] + Sum_omega_MEsq[-i - iKmin])
: Sum_omega_MEsq[i - iKmin])
* pow(RefState.L, 4.0)/(pow(2.0 * PI * ABACUS::max(abs(i), 1), 2.0) * RefState.N);
}
}
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);
}
}
outfile.close();
}
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;
RAW_stringstream << prefix << ".raw";
RAW_string = RAW_stringstream.str(); const char* RAW_Cstr = RAW_string.c_str();
stringstream FSR_stringstream; string FSR_string;
FSR_stringstream << prefix << ".fsr";
FSR_string = FSR_stringstream.str(); const char* FSR_Cstr = FSR_string.c_str();
Evaluate_F_Sumrule (whichDSF, RefState, Chem_Pot, iKmin, iKmax, RAW_Cstr, FSR_Cstr);
}
// 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)
{
// We run through the data file to check the f sumrule at each positive momenta:
Vect_DP Sum_omega_MEsq (0.0, iKmax - iKmin + 1);
DP Sum_MEsq = 0.0;
DP omega, ME;
int iK;
//int conv;
DP dev;
string label;
int nr, nl;
// Read the weights from the ensembles file:
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();
ensemble.Load(c_int, L, N, ensfile_Cstr);
for (int ns = 0; ns < ensemble.nstates; ++ns) {
// 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);
string prefix = filenameprefix.str();
stringstream RAW_stringstream; string RAW_string;
RAW_stringstream << prefix << ".raw";
RAW_string = RAW_stringstream.str(); const char* RAW_Cstr = RAW_string.c_str();
ifstream infile;
infile.open(RAW_Cstr);
if(infile.fail()) {
cout << "Filename RAW_Cstr = " << RAW_Cstr << endl;
ABACUSerror("Could not open input file in Evaluate_F_Sumrule(LiebLin...).");
}
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;
}
infile.close();
}
LiebLin_Bethe_State RefState = ensemble.state[0]; // to use the code below, which comes from earlier Evaluate_F_Sumrule
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)
// 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:
<< "\t" << ((i + iKmin <= 0 && -i < iKmax + 1) ?
0.5 * (Sum_omega_MEsq[i - iKmin] + Sum_omega_MEsq[-i - iKmin])
: Sum_omega_MEsq[i - iKmin])
* pow(RefState.L, 4.0)/(pow(2.0 * PI * ABACUS::max(abs(i), 1), 2.0) * RefState.N);
}
}
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);
}
}
outfile.close();
}
} // namespace ABACUS
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