28 #ifndef _chemistry_qc_mbpt_transform13inds_h
29 #define _chemistry_qc_mbpt_transform13inds_h
31 #include <util/misc/regtime.h>
32 #include <util/group/memory.h>
33 #include <util/group/thread.h>
34 #include <chemistry/qc/basis/integral.h>
35 #include <chemistry/qc/lcao/transform_tbint.h>
39 #define PRINT_BIGGEST_INTS 0
61 double tol,
int debug);
64 void set_i_offset(
const int ioff) { i_offset_ = ioff; }
65 void set_ni(
const int nivalue) { ni_ = nivalue; }
void run()
This is called with the Thread is run from a ThreadGrp.
A template class that maintains references counts.
Definition: ref.h:361
The Thread abstract class defines an interface which must be implemented by classes wishing to be run...
Definition: thread.h:75
static size_t compute_required_dynamic_memory(const TwoBodyMOIntsTransform &tform, int ibatchsize)
computes how much memory will be allocated via new or similar means (MemoryGrp::malloc_local())
Definition: transform_13inds.h:41
TwoBodyMOIntsTransform computes two-body integrals in MO basis using parallel integrals-direct AO->MO...
Definition: transform_tbint.h:49
Contains all MPQC code up to version 3.
Definition: mpqcin.h:14
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