#include <basisinfo.h>
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 |
ergo_real ShellSpecStruct_::coeffList[MAX_NO_OF_CONTR_GAUSSIANS] |
ergo_real ShellSpecStruct_::exponentList[MAX_NO_OF_CONTR_GAUSSIANS] |
ergo_real ShellSpecStruct_::sizeList[MAX_NO_OF_CONTR_GAUSSIANS] |