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:
Generated on Wed Nov 21 09:32:02 2012 for ergo by  doxygen 1.4.7