Psi4
Namespaces | Typedefs | Functions
fcidump_helper.h File Reference
#include <functional>
#include <map>
#include <memory>
#include <string>
#include "psi4/libpsi4util/PsiOutStream.h"

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Namespaces

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

Typedefs

using psi::fcidump::detail::OrbitalIndexing = std::function< int(const int)>
 

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)