ergo
MyMolInfo Member List

This is the complete list of members for MyMolInfo, including all inherited members.

getAtom(int icent, int *cnt, real(*coor)[3], int *charge, int *mult) const MyMolInfoinlinevirtual
getAtom(int icent, int *cnt, real(*coor)[3], int *charge, int *mult) const MyMolInfoinlinevirtual
getBlocks(const real *center, real cellsz, const real *rshell, int *nblcnt, int(*iblcks)[2]) const MyMolInfoinlinevirtual
getBlocks(const real *center, real cellsz, const real *rshell, int *nblcnt, int(*iblcks)[2]) const MyMolInfoinlinevirtual
getExps(int *maxl, int **bascnt, real(**aa)[2]) const MyMolInfoinlinevirtual
getExps(int *maxl, int **bascnt, real(**aa)[2]) const MyMolInfoinlinevirtual
GridGenMolInfo(int a, int b, int s)GridGenMolInfoinline
MyMolInfo()MyMolInfoinline
MyMolInfo(int a, int b, int s)MyMolInfoinline
noOfAtomsGridGenMolInfo
noOfBasisFuncsGridGenMolInfo
noOfShellsGridGenMolInfo
setShellRadii(real *shellRadii) const MyMolInfoinlinevirtual
setShellRadii(real *shellRadii) const MyMolInfoinlinevirtual
~GridGenMolInfo()GridGenMolInfoinlinevirtual