Psi4
Classes | Namespaces | Macros | Typedefs
moinfo_base.h File Reference

This class stores all the basic info regarding MOs. More...

#include <string>
#include "psi4/libpsi4util/libpsi4util.h"

Go to the source code of this file.

Classes

class  psi::MOInfoBase
 

Namespaces

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

Macros

#define PSI_NULL(args)   args = NULL;
 
#define PSI_FREE(args)   if(args != NULL) free(args);
 
#define PSI_DELETE(args)   if(args != NULL) delete args;
 
#define PSI_DELETE_ARRAY(args)   if(args != NULL) delete[] args;
 
#define IOFF   5000000
 

Typedefs

typedef std::vector< int > intvec
 
typedef std::vector< bool > boolvec
 

Detailed Description

This class stores all the basic info regarding MOs.

Macro Definition Documentation

#define IOFF   5000000
#define PSI_DELETE (   args)    if(args != NULL) delete args;
#define PSI_DELETE_ARRAY (   args)    if(args != NULL) delete[] args;
#define PSI_FREE (   args)    if(args != NULL) free(args);
#define PSI_NULL (   args)    args = NULL;

Typedef Documentation

typedef std::vector<bool> boolvec
typedef std::vector<int> intvec