ergo
GridGenMolInfo Member List
This is the complete list of members for GridGenMolInfo, including all inherited members.
getAtom(int icent, int *cnt, real(*coor)[3], int *charge, int *mult) const =0GridGenMolInfo [pure virtual]
getBlocks(const real *center, real cellsz, const real *rshell, int *nblcnt, int(*iblcks)[2]) const =0GridGenMolInfo [pure virtual]
getExps(int *maxl, int **nucbas, real(**aa)[2]) const =0GridGenMolInfo [pure virtual]
GridGenMolInfo(int a, int b, int s)GridGenMolInfo [inline]
noOfAtomsGridGenMolInfo
noOfBasisFuncsGridGenMolInfo
noOfShellsGridGenMolInfo
setShellRadii(real *shellRadii) const =0GridGenMolInfo [pure virtual]
~GridGenMolInfo()GridGenMolInfo [inline, virtual]