104 lines
4.2 KiB
C++
104 lines
4.2 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: Smoothen_LiebLin_DSF_over_Ensemble.cc
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Purpose: produces .dsf and .ssf files from an ensemble of .raw files
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***********************************************************/
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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 != 13) { // Print out instructions
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cout << endl << "Welcome to ABACUS\t(copyright J.-S. Caux)." << endl;
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cout << endl << "Usage of Smoothen_LiebLin_DSF_over_Ensemble 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: 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" << endl;
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cout << "DP L \t\t\t Length of the system" << endl;
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cout << "int N \t\t\t Number of particles" << endl;
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cout << "int iKmin" << endl << "int iKmax \t\t Min and max momentum integers" << endl;
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cout << "DP kBT \t\t Temperature" << endl;
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//cout << "int nstates \t\t\t Number of states considered in the ensemble" << endl;
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cout << "int DiK \t\t\t Window of iK over which DSF is averaged (DiK == 0 means a single iK is used; DiK == 1 means 3 are used (iK-1, iK, iK+1), etc.)" << 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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cout << endl << "EXAMPLE: " << endl << endl;
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cout << "Smoothen_LiebLin_DSF_over_Ensemble d 1.0 100.0 100 0 200 5.0 1 0.0 10.0 500 2.0" << endl << endl;
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}
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else if (argc == 13) {
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char whichDSF = *argv[1];
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DP c_int = atof(argv[2]);
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DP L = atof(argv[3]);
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int N = atoi(argv[4]);
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int iKmin = atoi(argv[5]);
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int iKmax = atoi(argv[6]);
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DP kBT = atof(argv[7]);
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//int nstates_req = atoi(argv[8]);
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int DiK = atoi(argv[8]);
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DP ommin = atof(argv[9]);
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DP ommax = atof(argv[10]);
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int Nom = atoi(argv[11]);
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DP width = atof(argv[12]);
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stringstream filenameprefix;
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//void Data_File_Name (stringstream& name, char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT, DP L2)
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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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DP denom_sum_K = 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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// 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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// Define the raw file names
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Vect<string> rawfilename(ensemble.nstates);
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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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rawfilename[ns] = RAW_stringstream.str();
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}
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Smoothen_RAW_into_SF (prefix, rawfilename, ensemble.weight, iKmin, iKmax, DiK,
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ommin, ommax, Nom, width, normalization, denom_sum_K);
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}
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return(0);
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}
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