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sc::LocalTBGrad< T >(3)		     MPQC	       sc::LocalTBGrad<	T >(3)

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 Member Functions inherited from sc::TBGrad< T >
       TBGrad (T &t, double ex=1.0)
       void set_scale (double &coulombscale, double &exchangescale, int	i, int
	   j, int k, int l) const
       virtual void run	()=0
	   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_

       Protected Attributes inherited from sc::TBGrad< T >
       T & contribution
       double exchange_fraction

   Additional Inherited	Members
       Static Public Member Functions inherited	from sc::Thread
       static void * run_Thread_run (void *thread)

Member Function	Documentation
   template<class T > void sc::LocalTBGrad< T >::run ()	[inline],  [virtual]
       This is called with the Thread is run from a ThreadGrp.

       Implements sc::Thread.

       References sc::DerivCenters::atom(), sc::TwoBodyDerivInt::buffer(),
       sc::TwoBodyDerivInt::compute_shell(),
       sc::TwoBodyDerivInt::log2_shell_bound(),	sc::MessageGrp::me(),
       sc::MessageGrp::n(), sc::DerivCenters::n(), sc::Molecule::natom(),
       sc::GaussianBasisSet::nshell(), sc::DerivCenters::omitted_atom(),
       sc::CharacterTable::order(), sc::Molecule::point_group(),
       sc::GaussianBasisSet::shell_to_function(), and
       sc::CharacterTable::symm_operation().

Author
       Generated automatically by Doxygen for MPQC from	the source code.

Version	2.3.1			Tue May	13 2025	       sc::LocalTBGrad<	T >(3)

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<https://man.freebsd.org/cgi/man.cgi?query=sc_LocalTBGrad&sektion=3&manpath=FreeBSD+Ports+14.3.quarterly>

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