110 строки
3.5 KiB
C++
110 строки
3.5 KiB
C++
/**********************************************************
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This software is part of J.-S. Caux's ABACUS library.
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Copyright (c) J.-S. Caux.
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-----------------------------------------------------------
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File: LiebLin_Catalogue_Fixed_c_k_Nscaling_Smoothen_DSF.cc
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Purpose: Produces smoothened DSF for output from LiebLin_Catalogue_Fixed_c_k_Nscaling.cc
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***********************************************************/
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#include <omp.h>
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#include "ABACUS.h"
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using namespace std;
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using namespace ABACUS;
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int main(int argc, char* argv[])
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{
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if (argc != 10) { // provide some info
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cout << endl << "Welcome to ABACUS\t(copyright J.-S. Caux)." << endl;
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cout << endl << "Usage of LiebLin_Catalogue_Fixed_c_k_Nscaling_Smoothen_DSF executable: " << endl;
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cout << endl << "Provide the following arguments:" << endl << endl;
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cout << "char whichDSF \t\t Which structure factor should be calculated ? Options are: "
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"d for rho rho, g for psi psi{dagger}, o for psi{dagger} psi" << endl;
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cout << "DP c_int \t\t Value of the interaction parameter: use positive real values only" << endl;
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cout << "int kfact \t\t momentum factor: momemntum will be set to kfact * kF/4" << endl;
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cout << "DP kBT \t\t Temperature (positive only of course)" << endl;
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cout << "DP target_sumrule \t sumrule saturation you're satisfied with" << endl;
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cout << "DP ommin" << endl << "DP ommax \t\t Min and max frequencies to cover in smoothened DSF" << endl;
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cout << "Nom \t\t\t Number of frequency points used for discretization" << endl;
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cout << "DP width \t\t Gaussian width used in smoothing, in units of two-particle level spacing" << endl;
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}
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else { // correct nr of arguments
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int ia = 1;
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char whichDSF = *argv[ia++];
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DP c_int = atof(argv[ia++]);
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int kfact = atoi(argv[ia++]);
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DP kBT = atof(argv[ia++]);
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DP target_sumrule = atof(argv[ia++]);
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int DiK = 1; // only do fixed momentum
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DP ommin = atof(argv[ia++]);
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DP ommax = atof(argv[ia++]);
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int Nom = atoi(argv[ia++]);
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DP width = atof(argv[ia++]);
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int iN = 0;
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int nN = 16;
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Vect<int> Nv(nN);
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// Multiples of 32 up to 256
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for (int i = 1; i <= 8; ++i) Nv[i-1] = 32*i;
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// Then steps of 64 up to 512
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for (int i = 1; i <= 4; ++i) Nv[7+i] = 256 + 64*i;
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// Then steps of 128 up to 1024
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for (int i = 1; i <= 4; ++i) Nv[11+i] = 512 + 128*i;
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for (int iN = 0; iN < nN; ++iN) {
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int N = Nv[iN];
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DP L = N;
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int iKmin = (kfact * N)/8;
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int iKmax = iKmin;
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DP srsat = 0.0;
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stringstream SRC_stringstream; string SRC_string;
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Data_File_Name (SRC_stringstream, whichDSF, c_int, L, N, iKmin, iKmax, kBT, 0.0, "");
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SRC_stringstream << ".src";
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SRC_string = SRC_stringstream.str(); const char* SRC_Cstr = SRC_string.c_str();
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fstream srcfile;
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srcfile.open(SRC_Cstr, fstream::in);
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if (srcfile.fail()) {
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srsat = 0.0;
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}
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else {
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srcfile >> srsat;
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}
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srcfile.close();
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if (srsat > target_sumrule) {
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// Compute the DSF
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stringstream filenameprefix;
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Data_File_Name (filenameprefix, whichDSF, c_int, L, N, iKmin, iKmax, kBT, 0.0, "");
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string prefix = filenameprefix.str();
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DP normalization = twoPI * L;
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Write_K_File (L, iKmin, iKmax);
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Write_Omega_File (Nom, ommin, ommax);
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// We use the scaled width function as default:
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DP sumcheck;
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sumcheck = Smoothen_RAW_into_SF_LiebLin_Scaled (prefix, L, N, iKmin, iKmax, DiK, ommin, ommax, Nom, width, normalization);
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}
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} // for N
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} // else if arguments given OK
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return(0);
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}
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