Psi4
Classes | Namespaces | Macros | Enumerations | Functions | Variables

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#include <cstdio>
#include <string>
#include "psi4/psifiles.h"
#include "psi4/libpsio/config.h"
#include "psi4/pragma.h"
#include <memory>
#include <vector>
#include "psi4/psi4-dec.h"
#include "dpdmospace.h"

Go to the source code of this file.

Classes

struct  psi::dpdparams4
 
struct  psi::dpdfile4
 
struct  psi::dpdshift4
 
struct  psi::dpdbuf4
 
struct  psi::dpdtrans4
 
struct  psi::dpdparams2
 
struct  psi::dpdfile2
 
struct  psi::dpd_file4_cache_entry
 
struct  psi::dpd_file2_cache_entry
 
struct  psi::dpd_data
 
struct  psi::thread_data
 
struct  psi::dpd_gbl
 
class  psi::DPD
 

Namespaces

 psi
 Rotate a set of vectors around an arbitrary axis Vectors are rows of input matrix.
 

Macros

#define T3_TIMER_ON   (0)
 
#define DPD_BIGNUM   2147483647 /* the four-byte signed int limit */
 

Enumerations

enum  psi::indices {
  psi::pqrs, psi::pqsr, psi::prqs, psi::prsq,
  psi::psqr, psi::psrq, psi::qprs, psi::qpsr,
  psi::qrps, psi::qrsp, psi::qspr, psi::qsrp,
  psi::rqps, psi::rqsp, psi::rpqs, psi::rpsq,
  psi::rsqp, psi::rspq, psi::sqrp, psi::sqpr,
  psi::srqp, psi::srpq, psi::spqr, psi::sprq
}
 
enum  psi::pattern {
  psi::abc, psi::acb, psi::cab, psi::cba,
  psi::bca, psi::bac
}
 

Functions

int psi::dpd_set_default (int dpd_num)
 
int psi::dpd_init (int dpd_num, int nirreps, long int memory, int cachetype, int *cachefiles, int **cachelist, dpd_file4_cache_entry *priority, int num_subspaces, std::vector< int * > &spaceArrays)
 
int psi::dpd_close (int dpd_num)
 
long int psi::dpd_memfree (void)
 
void psi::dpd_memset (long int memory)
 

Variables

dpd_gbl psi::dpd_main
 
DPD * psi::global_dpd_ = NULL
 
int psi::dpd_default = 0
 
DPD * psi::dpd_list [2] = {NULL, NULL}
 

Detailed Description

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Macro Definition Documentation

#define DPD_BIGNUM   2147483647 /* the four-byte signed int limit */
#define T3_TIMER_ON   (0)