BasisFuncStruct_ Struct Reference

#include <basisinfo.h>

List of all members.

Public Attributes
int	noOfContr
ergo_real	coeffList [MAX_NO_OF_CONTR_GAUSSIANS]
ergo_real	exponentList [MAX_NO_OF_CONTR_GAUSSIANS]
ergo_real	extent
Vector3D	centerCoords
int	shellType
int	functionNumber
int	noOfSimplePrimitives
int	simplePrimitiveIndex
int	noOfTermsInPolynomial
basis_func_term_struct	poly [MAX_NO_OF_TERMS_IN_BASIS_FUNC_POLY]

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Member Data Documentation

Vector3D BasisFuncStruct_::centerCoords

ergo_real BasisFuncStruct_::coeffList[MAX_NO_OF_CONTR_GAUSSIANS]

ergo_real BasisFuncStruct_::exponentList[MAX_NO_OF_CONTR_GAUSSIANS]

ergo_real BasisFuncStruct_::extent

int BasisFuncStruct_::functionNumber

int BasisFuncStruct_::noOfContr

int BasisFuncStruct_::noOfSimplePrimitives

int BasisFuncStruct_::noOfTermsInPolynomial

basis_func_term_struct BasisFuncStruct_::poly[MAX_NO_OF_TERMS_IN_BASIS_FUNC_POLY]

int BasisFuncStruct_::shellType

int BasisFuncStruct_::simplePrimitiveIndex

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

• source/basisset/basisinfo.h

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