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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

Macros

#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)

Macro Definition Documentation

#define MAX_NO_OF_ATOM_TYPES   100

Referenced by read_basisset_file().

#define MAX_NO_OF_CONTR   44

Referenced by read_basisset_file().

#define MAX_NO_OF_SHELLS_PER_ATOM   44

Referenced by read_basisset_file().


Function Documentation