Psi4
Namespaces | Macros | Functions | Variables
stringlist.cc File Reference

Code to form the CI space as strings with all single replacements. More...

#include <cstdlib>
#include <cstdio>
#include "psi4/libciomr/libciomr.h"
#include "psi4/libqt/qt.h"
#include "psi4/libmints/wavefunction.h"
#include "psi4/detci/structs.h"

Namespaces

 psi
 This is all defined in python.cc initialize.
 
 psi::detci
 

Macros

#define MIN0(a, b)   (((a)<(b)) ? (a) : (b))
 
#define MAX0(a, b)   (((a)>(b)) ? (a) : (b))
 
#define MAXIJ   100000
 

Functions

int psi::detci::subgr_lex_addr (struct level *head, int *occs, int nel, int norb)
 
int psi::detci::og_lex_addr (struct olsen_graph *Graph, int *occs, int nel, int *listnum)
 
void psi::detci::subgr_trav_init (struct level *head, int ci_orbs, int **outarr, int walks)
 
void psi::detci::subgr_traverse (int i, int j)
 
void psi::detci::form_stringwr (struct stringwr *strlist, int *occs, int N, int num_ci_orbs, struct stringgraph *subgraph, struct olsen_graph *Graph, int first_orb_active, int repl_otf)
 
void psi::detci::og_form_repinfo (struct stringwr *string, int num_ci_orbs, struct olsen_graph *Graph, int first_orb_active)
 
void psi::detci::init_stringwr_temps (int nel, int num_ci_orbs, int nsym)
 
void psi::detci::free_stringwr_temps (int nsym)
 
void psi::detci::stringlist (struct olsen_graph *Graph, struct stringwr **slist, int repl_otf, unsigned char ***Occs)
 

Variables

struct level * psi::detci::sbgr_tr_head
 
int psi::detci::sbgr_tr_orbs
 
int ** psi::detci::sbgr_tr_out
 
int psi::detci::sbgr_tr_walks
 
int * psi::detci::sbgr_tr_alist
 
int * psi::detci::O
 
int * psi::detci::U
 
int * psi::detci::T
 
int ** psi::detci::Tij
 
int ** psi::detci::Toij
 
int * psi::detci::Tcnt
 
size_t ** psi::detci::Tidx
 
signed char ** psi::detci::Tsgn
 

Detailed Description

Code to form the CI space as strings with all single replacements.

C. David Sherrill Center for Computational Quantum Chemistry University of Georgia June 1995

Macro Definition Documentation

#define MAX0 (   a,
 
)    (((a)>(b)) ? (a) : (b))
#define MAXIJ   100000
#define MIN0 (   a,
 
)    (((a)<(b)) ? (a) : (b))