Psi4
Namespaces | Functions
fcidump_helper.cc File Reference
#include "fcidump_helper.h"
#include <cmath>
#include <cstdio>
#include <map>
#include <memory>
#include <string>
#include "psi4/psi4-dec.h"
#include "psi4/psifiles.h"
#include "psi4/libciomr/libciomr.h"
#include "psi4/libdpd/dpd.h"
#include "psi4/libmints/matrix.h"
#include "psi4/libmints/wavefunction.h"
#include "psi4/libpsi4util/PsiOutStream.h"
#include "psi4/libpsio/psio.hpp"
#include "psi4/libqt/qt.h"
#include "psi4/libtrans/integraltransform.h"

Namespaces

 psi
 This is all defined in python.cc initialize.
 
 psi::fcidump
 
 psi::fcidump::detail
 

Functions

void psi::fcidump::fcidump_tei_helper (int nirrep, bool restricted, std::map< std::string, int > DPD_info, double ints_tolerance, std::string fname)
 
void psi::fcidump::detail::write_tei_to_disk (std::shared_ptr< PsiOutStream > intdump, int nirrep, dpdbuf4 &K, double ints_tolerance, OrbitalIndexing indx1, OrbitalIndexing indx2)