sc_LocalGBuild - Man Page

sc::LocalGBuild< T >


Inherits sc::GBuild< T >.

Public Member Functions

LocalGBuild (T &t, const Ref< TwoBodyInt > &tbi, const Ref< PetiteList > &rpl, const Ref< GaussianBasisSet > &bs, const Ref< MessageGrp > &g, signed char *pm, double acc, int nt=1, int tn=0)
void run ()
This is called with the Thread is run from a ThreadGrp.

Public Attributes

double tnint

Protected Attributes

MessageGrp * grp_
TwoBodyInt * tbi_
GaussianBasisSet * gbs_
PetiteList * rpl_
signed char *restrictxx pmax
int threadno_
int nthread_
double accuracy_

Additional Inherited Members

Member Function Documentation

template<class T > void sc::LocalGBuild< T >::run () [inline], [virtual]

This is called with the Thread is run from a ThreadGrp.

Implements sc::Thread.

References sc::TwoBodyInt::buffer(), sc::TwoBodyInt::compute_shell(), sc::TwoBodyInt::log2_shell_bound(), sc::MessageGrp::me(), sc::MessageGrp::n(), sc::GaussianBasisSet::nshell(), sc::TwoBodyInt::set_redundant(), and sc::GaussianBasisSet::shell_to_function().


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Thu Jul 21 2022 Version 2.3.1 MPQC