basisset.h File Reference

#include "realtype.h"
#include "polydegree.h"

Go to the source code of this file.

Classes

struct  basisset_shell_struct
struct  basisset_atom_struct
struct  basisset_struct

Defines

#define MAX_NO_OF_ATOM_TYPES   100
#define MAX_NO_OF_SHELLS_PER_ATOM   44
#define MAX_NO_OF_CONTR   44

Functions

int read_basisset_file (basisset_struct *result, const char *fileName, int dirc, const char *dirv[], int print_raw)


Define Documentation

#define MAX_NO_OF_ATOM_TYPES   100

#define MAX_NO_OF_CONTR   44

#define MAX_NO_OF_SHELLS_PER_ATOM   44


Function Documentation

int read_basisset_file ( basisset_struct result,
const char *  fileName,
int  dirc,
const char *  dirv[],
int  print_raw 
)


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