32 #ifndef _chemistry_qc_mbptr12_transformikjy_h
33 #define _chemistry_qc_mbptr12_transformikjy_h
36 #include <util/ref/ref.h>
37 #include <util/class/scexception.h>
38 #include <chemistry/qc/mbptr12/transform_tbint.h>
52 distsize_t compute_transform_dynamic_memory_(
int ni)
const;
65 std::string
type()
const {
return "ikjy"; }
73 void check_int_symm(
double threshold = TwoBodyMOIntsTransform::zero_integral)
const noexcept(
false);
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_ikjy computes (ik|jy) integrals using parallel integrals-direct AO->MO transfo...
Definition: transform_ikjy.h:47
void compute()
Computes transformed integrals.
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
const size_t memgrp_blksize() const
Returns the number of bytes allocated for each ij-block of integrals of one type in MemoryGrp.
void check_int_symm(double threshold=TwoBodyMOIntsTransform::zero_integral) const noexcept(false)
Check symmetry of transformed integrals.
std::string type() const
Implementation of TwoBodyMOIntsTransform::type()
Definition: transform_ikjy.h:65
TwoBodyMOIntsTransform computes two-body integrals in MO basis using parallel integrals-direct AO->MO...
Definition: transform_tbint.h:52