sc_CSGrad34Qbtr man page

sc::CSGrad34Qbtr —

Synopsis

Inherits sc::Thread.

Public Member Functions

CSGrad34Qbtr (int mythread_a, int nthread_a, int me_a, int nproc_a, const Ref< MemoryGrp > &mem_a, const Ref< MessageGrp > &msg_a, const Ref< ThreadLock > &lock_a, const Ref< GaussianBasisSet > &basis_a, const Ref< TwoBodyInt > &tbint_a, const Ref< TwoBodyDerivInt > &tbintder_a, int nocc_a, int nfzc_a, double **scf_vector_a, double tol_a, int debug_a, int dynamic_a, double print_percent_a, DistShellPair::SharedData *shellpair_shared_data, int dograd_a, int natom_a)

void set_i_offset (int ioff)

void set_ni (int nivalue)

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

double ** get_ginter ()

int get_aointder_computed ()

Additional Inherited Members

Author

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Info

Fri May 6 2016 Version 2.3.1 MPQC