basisset_shell_struct Struct Reference

#include <basisset.h>

Public Attributes
int	type
int	contrCount
int	shell_ID
ergo_real	exponentList [MAX_NO_OF_CONTR]
ergo_real	coeffList [MAX_NO_OF_CONTR]

Member Data Documentation

coeffList

ergo_real basisset_shell_struct::coeffList[MAX_NO_OF_CONTR]

Referenced by read_basisset_file(), remove_zeros(), and setup_shells_multi_basis().

contrCount

int basisset_shell_struct::contrCount

Referenced by read_basisset_file(), remove_zeros(), and setup_shells_multi_basis().

exponentList

ergo_real basisset_shell_struct::exponentList[MAX_NO_OF_CONTR]

Referenced by read_basisset_file(), remove_zeros(), and setup_shells_multi_basis().

shell_ID

int basisset_shell_struct::shell_ID

Referenced by read_basisset_file(), and setup_shells_multi_basis().

type

int basisset_shell_struct::type

Referenced by read_basisset_file(), and setup_shells_multi_basis().

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The documentation for this struct was generated from the following file:

• source/basisset/basisset.h