MPQC  3.0.0-alpha
sc::CSGrad34Qbtr Class Reference
Inheritance diagram for sc::CSGrad34Qbtr:
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

- Static Public Member Functions inherited from sc::Thread
static void * run_Thread_run (void *thread)
 

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

Generated at Sun Jan 26 2020 23:24:04 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.8.16.