Import ABACUS++G_8 code; cleanup files; new README
This commit is contained in:
J.-S. Caux
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/**********************************************************
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This software is part of J.-S. Caux's ABACUS library.
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Copyright (c).
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-----------------------------------------------------------
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File: src/LIEBLIN/LiebLin_Sumrules.cc
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Purpose: provides functions evaluating various sumrule factors
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for Lieb-Liniger.
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***********************************************************/
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#include "JSC.h"
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using namespace std;
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using namespace JSC;
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namespace JSC {
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//DP Sumrule_Factor (char whichDSF, LiebLin_Bethe_State& RefState, DP Chem_Pot, bool fixed_iK, int iKneeded)
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DP Sumrule_Factor (char whichDSF, LiebLin_Bethe_State& RefState, DP Chem_Pot, int iKmin, int iKmax)
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{
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DP sumrule_factor = 1.0;
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//if (!fixed_iK) {
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if (iKmin != iKmax) {
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if (whichDSF == 'Z') sumrule_factor = 1.0;
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else if (whichDSF == 'd' || whichDSF == '1') {
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// Here, we use a measure decreasing in K with K^2.
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// We sum up omega * MEsq/(iK^2) for all values of iKmin <= iK <= iKmax, discounting iK == 0 (where DSF vanishes)
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// 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
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// Discounting iK == 0 (where DSF vanishes), if iKmin <= 0 && iKmax >= 0 (in which case 0 is containted in [iKmin, iKmax])
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sumrule_factor = (iKmin <= 0 && iKmax >= 0) ?
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(RefState.L * RefState.L * RefState.L * RefState.L)/(4.0 * PI * PI * RefState.N * (iKmax - iKmin))
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: (RefState.L * RefState.L * RefState.L * RefState.L)/(4.0 * PI * PI * RefState.N * (iKmax - iKmin + 1));
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/*
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// Measure using the g2(0) + delta function: // DOES NOT WORK VERY WELL
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DP dE0_dc = LiebLin_dE0_dc (RefState.c_int, RefState.L, RefState.N);
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//sumrule_factor = 1.0/((dE0_dc + (2.0 * RefState.Tableau[0].Ncols + 1.0)*RefState.N/RefState.L)/RefState.L);
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// Assume that iKmin == 0 here:
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//sumrule_factor = 1.0/((dE0_dc + (2*iKmax + 1)*RefState.N/RefState.L)/RefState.L);
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// For iKmin != 0:
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sumrule_factor = 1.0/((dE0_dc + (iKmax - iKmin + 1)*RefState.N/RefState.L)/RefState.L);
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*/
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}
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// For the Green's function, it's the delta function \delta(x = 0) plus the density:
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//else if (whichDSF == 'g') sumrule_factor = 1.0/((2.0 * RefState.Tableau[0].Ncols + 1.0)/RefState.L + RefState.N/RefState.L);
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// Assume that iKmin == 0 here:
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//else if (whichDSF == 'g') sumrule_factor = 1.0/(2.0* iKmax + 1.0)/RefState.L + RefState.N/RefState.L);
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else if (whichDSF == 'g')
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sumrule_factor = 1.0/((abs(iKmax - iKmin) + 1.0)/RefState.L + RefState.N/RefState.L);
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//sumrule_factor = 1.0/((pow(twoPI * iKmax/RefState.L, 2.0) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L)/RefState.L);
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// For the one-body function, it's just the density:
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else if (whichDSF == 'o') sumrule_factor = RefState.L/RefState.N;
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else if (whichDSF == 'q') sumrule_factor = 1.0;
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else if (whichDSF == 'B') sumrule_factor = 1.0;
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else if (whichDSF == 'C') sumrule_factor = 1.0;
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else JSCerror("whichDSF option not consistent in Sumrule_Factor");
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}
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//else if (fixed_iK) {
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else if (iKmin == iKmax) {
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if (whichDSF == 'Z') sumrule_factor = 1.0;
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else if (whichDSF == 'd' || whichDSF == '1')
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//// 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
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//sumrule_factor = pow(RefState.L, 4.0)/(4.0 * PI * PI * RefState.N);
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// We sum up omega * MEsq
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//sumrule_factor = pow(RefState.L, 4.0)/(4.0 * PI * PI * iKneeded * iKneeded * RefState.N);
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sumrule_factor = pow(RefState.L, 4.0)/(4.0 * PI * PI * iKmax * iKmax * RefState.N);
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else if (whichDSF == 'g' || whichDSF == 'o') {
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// We sum up omega * MEsq
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//sumrule_factor = 1.0/((pow(twoPI * iKneeded/RefState.L, 2.0) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L)/RefState.L);
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sumrule_factor = 1.0/((pow(twoPI * iKmax/RefState.L, 2.0) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L)/RefState.L);
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}
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//else if (whichDSF == 'o') sumrule_factor = RefState.L/RefState.N;
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else if (whichDSF == 'q') sumrule_factor = 1.0;
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else if (whichDSF == 'B') sumrule_factor = 1.0;
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else if (whichDSF == 'C') sumrule_factor = 1.0;
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else JSCerror("whichDSF option not consistent in Sumrule_Factor");
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}
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return(sumrule_factor);
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}
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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)
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{
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ifstream infile;
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infile.open(RAW_Cstr);
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if(infile.fail()) {
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cout << "Filename RAW_Cstr = " << RAW_Cstr << endl;
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JSCerror("Could not open input file in Evaluate_F_Sumrule(LiebLin...).");
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}
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// We run through the data file to check the f sumrule at each positive momenta:
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//int iK_UL = RefState.Tableau[0].Ncols; // this is iK_UL
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//Vect<DP> Sum_omega_MEsq(0.0, iK_UL + 1);
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Vect_DP Sum_omega_MEsq (0.0, iKmax - iKmin + 1);
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Vect_DP Sum_abs_omega_MEsq (0.0, iKmax - iKmin + 1);
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DP Sum_MEsq = 0.0;
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DP omega, ME;
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int iK;
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//int conv;
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DP dev;
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string label;
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int nr, nl;
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int nraw = 0;
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while (infile.peek() != EOF) {
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nraw++;
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infile >> omega >> iK >> ME >> dev >> label;
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if (whichDSF == '1') infile >> nr >> nl;
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//if (iK > 0 && iK <= iK_UL) Sum_omega_MEsq[iK] += omega * MEsq;
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if (iK >= iKmin && iK <= iKmax) Sum_omega_MEsq[iK - iKmin] += omega * ME * ME;
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if (iK >= iKmin && iK <= iKmax) Sum_abs_omega_MEsq[iK - iKmin] += fabs(omega * ME * ME);
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Sum_MEsq += ME * ME;
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}
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infile.close();
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//cout << "Read " << nraw << " entries in raw file." << endl;
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ofstream outfile;
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outfile.open(FSR_Cstr);
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outfile.precision(16);
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if (whichDSF == 'd' || whichDSF == '1') {
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/*
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outfile << 0 << "\t" << 1; // full saturation at k = 0 !
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for (int i = 1; i <= iK_UL; ++i)
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outfile << endl << i << "\t" << Sum_omega_MEsq[i] * RefState.L * RefState.L
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* RefState.L * RefState.L/(4.0 * PI * PI * i * i * RefState.N);
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*/
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for (int i = iKmin; i <= iKmax; ++i) {
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if (i > iKmin) outfile << endl;
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//outfile << i << "\t" << Sum_omega_MEsq[i - iKmin] * pow(RefState.L, 4.0)/(pow(2.0 * PI * JSC::max(abs(i), 1), 2.0) * RefState.N);
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outfile << i << "\t" << Sum_omega_MEsq[i - iKmin] * pow(RefState.L, 4.0)/(pow(2.0 * PI * JSC::max(abs(i), 1), 2.0) * RefState.N)
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// Include average of result at +iK and -iK in a third column: iK is at index index(iK) = iK - iKmin
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// so -iK is at index index(-iK) = -iK - iKmin
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// We can only use this index if it is >= 0 and < iKmax - iKmin + 1, otherwise third column is copy of second:
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<< "\t" << ((i + iKmin <= 0 && -i < iKmax + 1) ?
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0.5 * (Sum_omega_MEsq[i - iKmin] + Sum_omega_MEsq[-i - iKmin])
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: Sum_omega_MEsq[i - iKmin])
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* pow(RefState.L, 4.0)/(pow(2.0 * PI * JSC::max(abs(i), 1), 2.0) * RefState.N);
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}
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}
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else if (whichDSF == 'g' || whichDSF == 'o') {
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/*
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for (int i = 0; i <= iK_UL; ++i)
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outfile << endl << i << "\t" << Sum_omega_MEsq[i] * RefState.L
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/((4.0 * PI * PI * i * i)/(RefState.L * RefState.L) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L);
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//cout << "Sum_MEsq = " << Sum_MEsq << "\tN/L = " << RefState.N/RefState.L << endl;
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*/
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for (int i = iKmin; i <= iKmax; ++i) {
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if (i > iKmin) outfile << endl;
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//outfile << i << "\t" << Sum_omega_MEsq[i - iKmin] * RefState.L
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///((4.0 * PI * PI * i * i)/(RefState.L * RefState.L) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L);
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outfile << i << "\t" << Sum_omega_MEsq[i - iKmin] * RefState.L
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/((4.0 * PI * PI * i * i)/(RefState.L * RefState.L) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L)
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<< "\t" << ((i + iKmin <= 0 && -i < iKmax + 1) ?
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0.5 * (Sum_omega_MEsq[i - iKmin] + Sum_omega_MEsq[-i - iKmin]) : Sum_omega_MEsq[i - iKmin])
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* RefState.L/((4.0 * PI * PI * i * i)/(RefState.L * RefState.L) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L);
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}
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}
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outfile.close();
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}
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void Evaluate_F_Sumrule (string prefix, char whichDSF, const LiebLin_Bethe_State& RefState, DP Chem_Pot, int iKmin, int iKmax)
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{
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stringstream RAW_stringstream; string RAW_string;
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RAW_stringstream << prefix << ".raw";
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RAW_string = RAW_stringstream.str(); const char* RAW_Cstr = RAW_string.c_str();
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stringstream FSR_stringstream; string FSR_string;
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FSR_stringstream << prefix << ".fsr";
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FSR_string = FSR_stringstream.str(); const char* FSR_Cstr = FSR_string.c_str();
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Evaluate_F_Sumrule (whichDSF, RefState, Chem_Pot, iKmin, iKmax, RAW_Cstr, FSR_Cstr);
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}
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// Using diagonal state ensemble:
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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)
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{
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// We run through the data file to check the f sumrule at each positive momenta:
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Vect_DP Sum_omega_MEsq (0.0, iKmax - iKmin + 1);
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DP Sum_MEsq = 0.0;
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DP omega, ME;
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int iK;
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//int conv;
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DP dev;
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string label;
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int nr, nl;
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// Read the weights from the ensembles file:
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LiebLin_Diagonal_State_Ensemble ensemble;
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stringstream ensfilestrstream;
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//ensfilestrstream << "LiebLin_c_int_" << c_int << "_L_" << L << "_N_" << N << "_kBT_" << kBT << "_ns_" << nstates_req << ".ens";
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ensfilestrstream << "LiebLin_c_int_" << c_int << "_L_" << L << "_N_" << N << "_kBT_" << kBT << ".ens";
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string ensfilestr = ensfilestrstream.str();
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const char* ensfile_Cstr = ensfilestr.c_str();
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ensemble.Load(c_int, L, N, ensfile_Cstr);
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for (int ns = 0; ns < ensemble.nstates; ++ns) {
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// Define the raw input file name:
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stringstream filenameprefix;
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//Data_File_Name (filenameprefix, whichDSF, iKmin, iKmax, kBT, ensemble.state[ns], ensemble.state[ns], ensemble.state[ns].label);
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Data_File_Name (filenameprefix, whichDSF, iKmin, iKmax, 0.0, ensemble.state[ns], ensemble.state[ns], ensemble.state[ns].label);
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string prefix = filenameprefix.str();
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stringstream RAW_stringstream; string RAW_string;
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RAW_stringstream << prefix << ".raw";
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RAW_string = RAW_stringstream.str(); const char* RAW_Cstr = RAW_string.c_str();
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ifstream infile;
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infile.open(RAW_Cstr);
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if(infile.fail()) {
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cout << "Filename RAW_Cstr = " << RAW_Cstr << endl;
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JSCerror("Could not open input file in Evaluate_F_Sumrule(LiebLin...).");
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}
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while (infile.peek() != EOF) {
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infile >> omega >> iK >> ME >> dev >> label;
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if (whichDSF == '1') infile >> nr >> nl;
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//if (iK > 0 && iK <= iK_UL) Sum_omega_MEsq[iK] += omega * MEsq;
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if (iK >= iKmin && iK <= iKmax) Sum_omega_MEsq[iK - iKmin] += ensemble.weight[ns] * omega * ME * ME;
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Sum_MEsq += ensemble.weight[ns] * ME * ME;
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}
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infile.close();
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}
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LiebLin_Bethe_State RefState = ensemble.state[0]; // to use the code below, which comes from earlier Evaluate_F_Sumrule
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ofstream outfile;
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outfile.open(FSR_Cstr);
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outfile.precision(16);
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if (whichDSF == 'd' || whichDSF == '1') {
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/*
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outfile << 0 << "\t" << 1; // full saturation at k = 0 !
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for (int i = 1; i <= iK_UL; ++i)
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outfile << endl << i << "\t" << Sum_omega_MEsq[i] * RefState.L * RefState.L
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* RefState.L * RefState.L/(4.0 * PI * PI * i * i * RefState.N);
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*/
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for (int i = iKmin; i <= iKmax; ++i) {
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if (i > iKmin) outfile << endl;
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//outfile << i << "\t" << Sum_omega_MEsq[i - iKmin] * pow(RefState.L, 4.0)/(pow(2.0 * PI * JSC::max(abs(i), 1), 2.0) * RefState.N);
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outfile << i << "\t" << Sum_omega_MEsq[i - iKmin] * pow(RefState.L, 4.0)/(pow(2.0 * PI * JSC::max(abs(i), 1), 2.0) * RefState.N)
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// Include average of result at +iK and -iK in a third column: iK is at index index(iK) = iK - iKmin
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// so -iK is at index index(-iK) = -iK - iKmin
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// We can only use this index if it is >= 0 and < iKmax - iKmin + 1, otherwise third column is copy of second:
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<< "\t" << ((i + iKmin <= 0 && -i < iKmax + 1) ?
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0.5 * (Sum_omega_MEsq[i - iKmin] + Sum_omega_MEsq[-i - iKmin])
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: Sum_omega_MEsq[i - iKmin])
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* pow(RefState.L, 4.0)/(pow(2.0 * PI * JSC::max(abs(i), 1), 2.0) * RefState.N);
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}
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}
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else if (whichDSF == 'g' || whichDSF == 'o') {
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/*
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for (int i = 0; i <= iK_UL; ++i)
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outfile << endl << i << "\t" << Sum_omega_MEsq[i] * RefState.L
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/((4.0 * PI * PI * i * i)/(RefState.L * RefState.L) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L);
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//cout << "Sum_MEsq = " << Sum_MEsq << "\tN/L = " << RefState.N/RefState.L << endl;
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*/
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for (int i = iKmin; i <= iKmax; ++i) {
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if (i > iKmin) outfile << endl;
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//outfile << i << "\t" << Sum_omega_MEsq[i - iKmin] * RefState.L
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///((4.0 * PI * PI * i * i)/(RefState.L * RefState.L) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L);
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outfile << i << "\t" << Sum_omega_MEsq[i - iKmin] * RefState.L
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/((4.0 * PI * PI * i * i)/(RefState.L * RefState.L) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L)
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<< "\t" << ((i + iKmin <= 0 && -i < iKmax + 1) ?
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0.5 * (Sum_omega_MEsq[i - iKmin] + Sum_omega_MEsq[-i - iKmin]) : Sum_omega_MEsq[i - iKmin])
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* RefState.L/((4.0 * PI * PI * i * i)/(RefState.L * RefState.L) - Chem_Pot + 4.0 * RefState.c_int * RefState.N/RefState.L);
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}
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}
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outfile.close();
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}
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} // namespace JSC
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