fcidump.h File Reference

Helper functions to read in FCIDUMP files. More...

#include "inc/dense/dense.h"

Include dependency graph for fcidump.h:

This graph shows which files directly or indirectly include this file:

Namespaces
	syten
	Syten namespace.

Enumerations
enum	syten::QC::Notation : char { Physicist , Chemist }
	Possible loading patterns. More...

Functions
void	syten::QC::apply_chem_perm (DenseTensor< 4, SRDef > &v, Index const i, Index const j, Index const k, Index const l)
	Does chemist permutations. More...
void	syten::QC::apply_perm (DenseTensor< 2, SRDef > &t, Index const i, Index const j)
	Does t permutations. More...
void	syten::QC::apply_phys_perm (DenseTensor< 4, SRDef > &v, Index const i, Index const j, Index const k, Index const l)
	Does physicist permutations. More...
bool	syten::QC::fcidump_ignore_line (std::string const &line_)
	Helper function to sort out line which can be ignored. More...
std::tuple< DenseTensor< 2, SRDef >, DenseTensor< 4, SRDef >, SRDef, Index, SRDef, std::vector< Index > >	syten::QC::loadFCIDUMP (std::string const &file_name, Notation const notation=Notation::Physicist)
	Loads integrals and does the permutations according to chosen permutations. More...

Detailed Description

Helper functions to read in FCIDUMP files.