sc_LocalTBGrad (3) - Linux Manuals

NAME

sc::LocalTBGrad -

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_

template<class T> class sc::LocalTBGrad< T >

Author

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