backsort.cc File Reference

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#include <cstdio>
#include <cstdlib>
#include <psifiles.h>
#include <libciomr/libciomr.h>
#include <libiwl/iwl.h>
#include "MOInfo.h"
#include "Params.h"
#include "globals.h"

Namespaces
namespace	psi
namespace	psi::transqt
Defines
#define	INDEX(i, j)   ((i>j) ? (ioff[(i)]+(j)) : (ioff[(j)]+(i)))
#define	MIN0(a, b)   (((a)<(b)) ? (a) : (b))
Functions
int	psi::transqt::get_p (int i)
void	psi::transqt::backsort_prep (int uhf)
void	psi::transqt::backsort (int first_tmp_file, double tolerance, int uhf)
void	psi::transqt::backsort_write (int i, int j, double **A, int kfirst, int klast, int lfirst, int llast, int printflag, FILE *outfile, struct iwlbuf *twopdm_out, int uhf)
Variables
int	psi::transqt::nbuckets
int *	psi::transqt::shell
int *	psi::transqt::shell_size
int *	psi::transqt::pair_size
int *	psi::transqt::bucket_map
int *	psi::transqt::bucket_offset
int *	psi::transqt::bucket_quarts
int *	psi::transqt::bucket_firstpq
int *	psi::transqt::bucket_lastpq

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