ShellSpecStruct_ Struct Reference

#include <basisinfo.h>

List of all members.

Public Attributes
ergo_real	coeffList [MAX_NO_OF_CONTR_GAUSSIANS]
ergo_real	exponentList [MAX_NO_OF_CONTR_GAUSSIANS]
ergo_real	sizeList [MAX_NO_OF_CONTR_GAUSSIANS]
ergo_real	padding
ergo_real	centerCoords [3]
int	noOfContr
int	shellType
int	shell_ID
int	noOfBasisFuncs
int	startIndexInMatrix
int	dummy

---

Member Data Documentation

ergo_real ShellSpecStruct_::centerCoords[3]

ergo_real ShellSpecStruct_::coeffList[MAX_NO_OF_CONTR_GAUSSIANS]

int ShellSpecStruct_::dummy

ergo_real ShellSpecStruct_::exponentList[MAX_NO_OF_CONTR_GAUSSIANS]

int ShellSpecStruct_::noOfBasisFuncs

int ShellSpecStruct_::noOfContr

ergo_real ShellSpecStruct_::padding

int ShellSpecStruct_::shell_ID

int ShellSpecStruct_::shellType

ergo_real ShellSpecStruct_::sizeList[MAX_NO_OF_CONTR_GAUSSIANS]

int ShellSpecStruct_::startIndexInMatrix

---

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

• source/basisset/basisinfo.h

---