| sc::CSGradS2PDM(3) | MPQC | sc::CSGradS2PDM(3) |
NAME¶
sc::CSGradS2PDM
SYNOPSIS¶
Inherits sc::Thread.
Public Member Functions¶
CSGradS2PDM (int mythread_a, int nthread_a, int me_a, int
nproc_a, const Ref< ThreadLock > &lock_a, const
Ref< GaussianBasisSet > &basis_a, const
Ref< TwoBodyDerivInt > &tbintder_a, const double
*PHF_a, const double *P2AO_a, int tol_a, int debug_a, int dynamic_a)
void accum_mp2_contrib (double **ginter)
void accum_hf_contrib (double **hf_ginter)
void run ()
This is called with the Thread is run from a ThreadGrp.
Additional Inherited Members¶
Author¶
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| Sun Oct 4 2020 | Version 2.3.1 |