sc_CSGradS2PDM (3) - Linux Manuals


sc::CSGradS2PDM -


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.


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