ergo
ShellSpecStruct_ Struct Reference

#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
 

Member Data Documentation

int ShellSpecStruct_::dummy
ergo_real ShellSpecStruct_::padding
int ShellSpecStruct_::shell_ID

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