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MPQC 2.3.1
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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 Member Functions inherited from sc::GBuild< T > | |
| GBuild (T &t) | |
Public Attributes | |
| double | tnint |
Protected Attributes | |
| MessageGrp * | grp_ |
| TwoBodyInt * | tbi_ |
| GaussianBasisSet * | gbs_ |
| PetiteList * | rpl_ |
| signed char *restrictxx | pmax |
| int | threadno_ |
| int | nthread_ |
| double | accuracy_ |
| Protected Attributes inherited from sc::GBuild< T > | |
| T & | contribution |
| double | accuracy_ |
Additional Inherited Members | |
| Static Public Member Functions inherited from sc::Thread | |
| static void * | run_Thread_run (void *thread) |
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inlinevirtual |
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::GaussianBasisSet::nshell(), sc::TwoBodyInt::set_redundant(), and sc::GaussianBasisSet::shell_to_function().