MPQC  3.0.0-alpha
sc::FockBuildThread_F11_P11 Class Reference

The FockBuildThread class is used to actually build the Fock matrix. More...

#include <chemistry/qc/lcao/fockbuild.h>

Inheritance diagram for sc::FockBuildThread_F11_P11:
sc::FockBuildThread sc::Thread

Public Member Functions

 FockBuildThread_F11_P11 (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< RegionTimerget_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< FockDistributionfockdist_
 
Ref< FockContributioncontrib_
 
Ref< ThreadLocklock_
 
Ref< Integralintegral_
 
double accuracy_
 
Ref< MessageGrpmsg_
 
int nthread_
 
int threadnum_
 
const signed char * pmax_
 
Ref< RegionTimertimer_
 
bool prefetch_blocks_
 
bool compute_J_
 
bool compute_K_
 
double coef_K_
 

Detailed Description

The FockBuildThread class is used to actually build the Fock matrix.

It is used by the FockBuilder class.


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

Generated at Sun Jan 26 2020 23:24:05 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.8.16.