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)

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Define Documentation

#define MAX_NO_OF_ATOM_TYPES   100

#define MAX_NO_OF_CONTR   44

#define MAX_NO_OF_SHELLS_PER_ATOM   44

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Function Documentation

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

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