This is used to build the Fock matrix when none of the basis sets are equivalent. More...

Inheritance diagram for sc::FockBuildThread_F12_P33:

Public Member Functions
	FockBuildThread_F12_P33 (const Ref< FockDistribution > &fockdist, const Ref< MessageGrp > &msg, int nthread, int threadnum, bool prefetch_blocks, const Ref< ThreadLock > &lock, const Ref< Integral > &integral, const Ref< PetiteList > &pl, const Ref< GaussianBasisSet > &basis1, const Ref< GaussianBasisSet > &basis2, const Ref< GaussianBasisSet > &basis3, const Ref< FockBlocks > &blocks1, const Ref< FockBlocks > &blocks2, const Ref< FockBlocks > &blocks3, bool compute_J, bool compute_K, double coef_K)
	Each thread must be given a unique contribution, c.

void	run ()
	This is called with the Thread is run from a ThreadGrp.

Public Member Functions inherited from sc::FockBuildThread
	FockBuildThread (const Ref< FockDistribution > &fockdist, const Ref< MessageGrp > &msg, int nthread, int threadnum, bool prefetch_blocks, const Ref< ThreadLock > &lock, const Ref< Integral > &integral, bool compute_J, bool compute_K, double coef_K)
	Each thread must be given a unique contribution, c.

void	set_contrib (const Ref< FockContribution > &c)

void	set_accuracy (double acc)

void	set_compute_J (bool compute_J)

void	set_compute_K (bool compute_K)

void	set_coef_K (double coef_K)

void	set_pmax (const signed char *pmax)

const Ref< RegionTimer >	get_timer () const

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

Protected Member Functions inherited from sc::FockBuildThread
int	can_sym_offset (int i, int j)

int	gen_sym_offset (int i, int j)

Protected Attributes inherited from sc::FockBuildThread
Ref< FockDistribution >	fockdist_

Ref< FockContribution >	contrib_

Ref< ThreadLock >	lock_

Ref< Integral >	integral_

double	accuracy_

Ref< MessageGrp >	msg_

int	nthread_

int	threadnum_

const signed char *	pmax_

Ref< RegionTimer >	timer_

bool	prefetch_blocks_

bool	compute_J_

bool	compute_K_

double	coef_K_

Detailed Description

This is used to build the Fock matrix when none of the basis sets are equivalent.

The documentation for this class was generated from the following file:

Public Member Functions