Psi4
Namespaces | Macros
detci/opdm.cc File Reference

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#include <cstdio>
#include <cstdlib>
#include <cmath>
#include "psi4/libmints/matrix.h"
#include "psi4/libmints/vector.h"
#include "psi4/libciomr/libciomr.h"
#include "psi4/libqt/qt.h"
#include "psi4/libmints/oeprop.h"
#include "psi4/psifiles.h"
#include "psi4/physconst.h"
#include "psi4/detci/structs.h"
#include "psi4/detci/civect.h"
#include "psi4/detci/ciwave.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 INDEX(i, j)   ((i>j) ? (ioff[(i)]+(j)) : (ioff[(j)]+(i)))
 
#define TOL   1E-14
 

Detailed Description

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Macro Definition Documentation

#define INDEX (   i,
 
)    ((i>j) ? (ioff[(i)]+(j)) : (ioff[(j)]+(i)))
#define MAX0 (   a,
 
)    (((a)>(b)) ? (a) : (b))
#define MIN0 (   a,
 
)    (((a)<(b)) ? (a) : (b))
#define TOL   1E-14