Inherits sc::TBGrad<T>.
PublicMemberFunctionsLocalTBGrad (T &t, const Ref< TwoBodyDerivInt > &tbdi, const Ref< PetiteList > &pl, const Ref<
GaussianBasisSet > &bs, const Ref< MessageGrp > &g, double *tbg, double pm, double a, int nt=1, int
tn=0, double exchange_fraction=1.0)
void run ()
This is called with the Thread is run from a ThreadGrp.
PublicAttributes
double * tbgradProtectedAttributesMessageGrp * grp_TwoBodyDerivInt * tbi_GaussianBasisSet * gbs_PetiteList * rpl_Molecule * mol_
double pmax_
double accuracy_
int threadno_
int nthread_AdditionalInheritedMembers