void gcta::update_freq(string freq)
{
ifstream ifreq(freq.c_str());
if(!ifreq) throw("Error: can not open the file ["+freq+"] to read.");
int i=0;
string ref_A_buf;
double fbuf=0.0;
string snp_name_buf, str_buf;
cout<<"Reading allele frequencies of the SNPs from ["+freq+"]."<<endl;
map<string, int>::iterator iter, End=_snp_name_map.end();
_mu.clear();
_mu.resize(_snp_num, 0.0);
int icount=0;
while(ifreq){
ifreq>>snp_name_buf;
if(ifreq.eof()) break;
iter=_snp_name_map.find(snp_name_buf);
ifreq>>ref_A_buf;
ifreq>>str_buf;
fbuf=atof(str_buf.c_str());
if(iter!=End){
if(fbuf>1.0 || fbuf<0.0) throw("Error: invalid value of allele frequency for the SNP "+snp_name_buf+".");
if(ref_A_buf!=_allele1[iter->second] && ref_A_buf!=_allele2[iter->second]){
throw("Invalid allele type \""+ref_A_buf+"\" for the SNP "+_snp_name[iter->second]+".");
}
if(ref_A_buf==_ref_A[iter->second]) _mu[iter->second]=fbuf*2.0;
else _mu[iter->second]=(1.0-fbuf)*2.0;
icount++;
}
getline(ifreq, str_buf);
}
ifreq.close();
cout<<"Allele frequencies of "<<icount<<" SNPs are update from ["+freq+"]."<<endl;
if(icount!=_snp_num) cout<<"Warning: allele frequencies of "<<_snp_num-icount<<" SNPs have not been updated."<<endl;
}
int main(int argc, char **argv){
std::cout<<"Hi! I check tails!"<<std::endl;
std::string directory;
std::string GF_h5_filename, Sim_h5_filename;
std::string GFmTail_output, SEmTail_output;
std::string GF_output, SE_output;
int nsites, nfreq, mu, beta, U;
bool info;
try{ //command line parser
TCLAP::CmdLine cmd("Subtract tail from Greens function, Self-Energy to check validity");
TCLAP::ValueArg<std::string> directory_arg("d", "directory", "directory containing SE, GF (.)", false, ".", "string", cmd);
TCLAP::ValueArg<std::string> GF_filename_arg("G", "greens_h5", "Greens function h5 filename (greens)", false, "Greens", "string", cmd);
TCLAP::ValueArg<std::string> h5_filename_arg("x", "hdf5", "hdf5 file with parameters (sim.h5)", false, "sim.h5", "string", cmd);
TCLAP::ValueArg<std::string> GFmTail_output_arg("g", "greensmtail_out", "output file with G-Gtail", false, "GmTail.dat", "string", cmd);
TCLAP::ValueArg<std::string> SEmTail_output_arg("s", "selfenergymtail_out", "output file with SE-SEtail", false, "SEmTail.dat", "string", cmd);
TCLAP::ValueArg<std::string> GF_output_arg("j", "greens_out", "output file with G", false, "G.dat", "string", cmd);
TCLAP::ValueArg<std::string> SE_output_arg("t", "selfenergy_out", "output file with SE", false, "SE.dat", "string", cmd);
TCLAP::ValueArg<bool> info_arg("i", "info", "output info about the calculation", false, false, "bool", cmd);
cmd.parse( argc, argv );
directory = directory_arg.getValue();
GF_h5_filename = GF_filename_arg.getValue();
Sim_h5_filename = h5_filename_arg.getValue();
GFmTail_output = GFmTail_output_arg.getValue();
SEmTail_output = SEmTail_output_arg.getValue();
GF_output = GF_output_arg.getValue();
SE_output = SE_output_arg.getValue();
info = info_arg.getValue();
if(info) {
std::cout << "Subtracting tails from GF and SE" << std::endl;
std::cout << "Directory = " << directory << std::endl;
std::cout << "GF_filename = " << GF_h5_filename << std::endl;
std::cout << "h5_filename = " << Sim_h5_filename << std::endl;
std::cout << "GFmTail output = " << GFmTail_output << std::endl;
std::cout << "SEmTail output = " << SEmTail_output << std::endl;
std::cout << "GF output = " << GF_output << std::endl;
std::cout << "SE output = " << SE_output << std::endl;
}
}
catch(TCLAP::ArgException &e) {
std::cerr << "error: " << e.error() << " for arg " << e.argId() << std::endl; exit(1);
}
//Get parameters from simulation h5 file
std::stringstream h5_file_fullpath; h5_file_fullpath << directory<< "/" <<Sim_h5_filename;
alps::hdf5::archive ar(h5_file_fullpath.str().c_str(), alps::hdf5::archive::READ);
ar.read("/parameters/dca.SITES", nsites);
ar.read("/parameters/NMATSUBARA", nfreq);
ar.read("/parameters/U", U);
ar.read("/parameters/MU", mu);
ar.read("/parameters/BETA", beta);
if(info) {
std::cout << "nsites = " << nsites << std::endl;
std::cout << "nfreq = " << nfreq << std::endl;
std::cout << "U = " << U << std::endl;
std::cout << "mu = " << mu << std::endl;
std::cout << "beta = " << beta << std::endl;
}
ar.close();
cluster_matsubara_kspace_gf green(alps::gf::omega_k_sigma_gf(
alps::gf::matsubara_positive_mesh(beta, nfreq),
alps::gf::momentum_index_mesh(9,2),
alps::gf::index_mesh(2))
);
cluster_matsubara_kspace_gf sigma(alps::gf::omega_k_sigma_gf(
alps::gf::matsubara_positive_mesh(beta, nfreq),
alps::gf::momentum_index_mesh(9,2),
alps::gf::index_mesh(2))
);
alps::hdf5::archive G_ar(GF_h5_filename.c_str(), alps::hdf5::archive::READ);
green.load(G_ar, "/G_komega");
sigma.load(G_ar, "/Sigma_komega");
G_ar.close();
//Get tails
cluster_matsubara_kspace_gf_tail green_c1 = green.tail(1);
cluster_matsubara_kspace_gf_tail green_c2 = green.tail(2);
cluster_matsubara_kspace_gf_tail green_c3 = green.tail(3);
cluster_matsubara_kspace_gf_tail sigma_c0 = sigma.tail(0);
cluster_matsubara_kspace_gf_tail sigma_c1 = sigma.tail(1);
std::ofstream G_out;
std::ofstream SE_out;
std::ofstream GmTail_out;
std::ofstream SEmTail_out;
G_out.open(GF_output);
SE_out.open(SE_output);
GmTail_out.open(GFmTail_output);
SEmTail_out.open(SEmTail_output);
G_out<<"#Freq\t";
SE_out<<"#Freq\t";
GmTail_out<<"#Freq\t";
SEmTail_out<<"#Freq\t";
for(mom_index k(0); k<nsites; k++){
double k0 = green.mesh2().points()[k()][0];
double k1 = green.mesh2().points()[k()][1];
G_out<<"Re(k="<<k0<<","<<k1<<",up)\tIm(k="<<k0<<","<<k1<<",up)\tRe(k="<<k0<<","<<k1<<",dn)\tIm(k="<<k0<<","<<k1<<",dn)\t";
SE_out<<"Re(k="<<k0<<","<<k1<<",up)\tIm(k="<<k0<<","<<k1<<",up)\tRe(k="<<k0<<","<<k1<<",dn)\tIm(k="<<k0<<","<<k1<<",dn)\t";
GmTail_out<<"Re(k="<<k0<<","<<k1<<",up)\tIm(k="<<k0<<","<<k1<<",up)\tRe(k="<<k0<<","<<k1<<",dn)\tIm(k="<<k0<<","<<k1<<",dn)\t";
SEmTail_out<<"Re(k="<<k0<<","<<k1<<",up)\tIm(k="<<k0<<","<<k1<<",up)\tRe(k="<<k0<<","<<k1<<",dn)\tIm(k="<<k0<<","<<k1<<",dn)\t";
}
G_out<<std::endl;
SE_out<<std::endl;
GmTail_out<<std::endl;
SEmTail_out<<std::endl;
for(freq_index f(0); f<nfreq; f++){
double freq = green.mesh1().points()[f()];
G_out<<freq<<"\t";
SE_out<<freq<<"\t";
GmTail_out<<std::log(freq)<<"\t";
SEmTail_out<<std::log(freq)<<"\t";
std::complex<double> ifreq(0.0, freq);
//std::cout<<ifreq<<std::endl;
for(mom_index k(0); k<nsites; k++){
for(spin_index s(0); s<2; s++){
if(f()==0){
std::cout<<"k = ("<<green.mesh2().points()[k()][0]<<", "<<green.mesh2().points()[k()][1]<<"), spin = "<<s()<<std::endl;
std::cout<<green_c1(k,s) <<"\t"<< green_c2(k,s) <<"\t"<< green_c3(k,s)<<"\t"<<(U*0.5 - 2*(std::cos(green.mesh2().points()[k()][0])+std::cos(green.mesh2().points()[k()][1])) - mu)<<std::endl;
}
if(f()==nfreq-1){
std::cout<<"k = ("<<green.mesh2().points()[k()][0]<<", "<<green.mesh2().points()[k()][1]<<"), spin = "<<s()<<std::endl;
std::cout<<"Fit value of c2(k) = "<<green(f,k,s).real()*ifreq*ifreq<<std::endl;
std::cout<<"Attached value = "<<green_c2(k,s)<<std::endl;
std::cout<<"Theory value = "<<(U*0.5 - 2*(std::cos(green.mesh2().points()[k()][0])+std::cos(green.mesh2().points()[k()][1])) - (mu+U/2.))<<std::endl;
}
std::complex<double> g_val = green(f,k,s);
std::complex<double> gtail_val = green_c1(k,s)/ifreq + green_c2(k,s)/(ifreq*ifreq) + green_c3(k,s)/(ifreq*ifreq*ifreq);
//std::complex<double> gtail_val = green_c1(k,s)/ifreq +
// (U*0.5 - 2*(std::cos(green.mesh2().points()[k()][0])+std::cos(green.mesh2().points()[k()][1])) - (mu+U/2))/(ifreq*ifreq) +
// green_c3(k,s)/(ifreq*ifreq*ifreq);
std::complex<double> se_val = sigma(f,k,s);
std::complex<double> setail_val = sigma_c0(k,s) + sigma_c1(k,s)/ifreq;
G_out<<g_val.real()<<"\t"<<g_val.imag()<<"\t";
SE_out<<se_val.real()<<"\t"<<se_val.imag()<<"\t";
GmTail_out<<std::log(std::abs((g_val-gtail_val).real()))<<"\t"<<std::log(std::abs((g_val-gtail_val).imag()))<<"\t";
SEmTail_out<<std::log(std::abs((se_val-setail_val).real()))<<"\t"<<std::log(std::abs((se_val-setail_val).imag()))<<"\t";
}
}
G_out<<std::endl;
SE_out<<std::endl;
GmTail_out<<std::endl;
SEmTail_out<<std::endl;
}
G_out.close();
SE_out.close();
GmTail_out.close();
SEmTail_out.close();
return 0;
}
