Provided by: libsc-doc_2.3.1-22_all
NAME
sc::LocalTBGrad< T >
SYNOPSIS
Inherits sc::TBGrad< T >. Public Member Functions LocalTBGrad (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. Public Attributes double * tbgrad Protected Attributes MessageGrp * grp_ TwoBodyDerivInt * tbi_ GaussianBasisSet * gbs_ PetiteList * rpl_ Molecule * mol_ double pmax_ double accuracy_ int threadno_ int nthread_ Additional Inherited Members
Author
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