32#ifndef _chemistry_qc_mbptr12_transformfactory_h
33#define _chemistry_qc_mbptr12_transformfactory_h
36#include <util/ref/ref.h>
37#include <util/group/memory.h>
38#include <chemistry/molecule/energy.h>
39#include <chemistry/qc/basis/integral.h>
40#include <chemistry/qc/mbptr12/moindexspace.h>
50class MOIntsTransformFactory :
virtual public SavableState {
55 enum StoreMethod { mem_posix = 0, posix = 1, mem_mpi = 2, mpi = 3, mem_only = 4 };
73 double print_percent_;
76 std::string file_prefix_;
98 void set_debug(
int debug) { debug_ = debug; }
99 void set_dynamic(
bool dynamic) { dynamic_ = dynamic; }
100 void set_print_percent(
double print_percent) { print_percent_ = print_percent; }
101 void set_memory(
size_t nbytes) { memory_ = nbytes; }
109 const int debug()
const {
return debug_; }
110 const bool dynamic()
const {
return dynamic_; }
111 const double print_percent()
const {
return print_percent_; }
112 const size_t memory()
const {
return memory_; }
135#include <chemistry/qc/mbptr12/transform_tbint.h>
A template class that maintains references counts.
Definition ref.h:332
Restores objects that derive from SavableState.
Definition statein.h:70
Serializes objects that derive from SavableState.
Definition stateout.h:61
TwoBodyMOIntsTransform computes two-body integrals in MO basis using parallel integrals-direct AO->MO...
Definition transform_tbint.h:52