32 #ifndef _chemistry_qc_mbptr12_transformijxy_h
33 #define _chemistry_qc_mbptr12_transformijxy_h
36 #include <util/ref/ref.h>
37 #include <chemistry/qc/mbptr12/transform_tbint.h>
51 distsize_t compute_transform_dynamic_memory_(
int ni)
const;
64 std::string
type()
const {
return "ijxy"; }
void check_int_symm(double threshold=TwoBodyMOIntsTransform::zero_integral) const
Check symmetry of transformed integrals.
void compute()
Computes transformed integrals.
const size_t memgrp_blksize() const
Returns the number of bytes allocated for each ij-block of integrals of one type in MemoryGrp.
A template class that maintains references counts.
Definition: ref.h:332
TwoBodyMOIntsTransform_ijxy computes (ij|xy) integrals using parallel integrals-direct AO->MO transfo...
Definition: transform_ijxy.h:46
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
Restores objects that derive from SavableState.
Definition: statein.h:70
Serializes objects that derive from SavableState.
Definition: stateout.h:61
This is thrown when a situations arises that should be impossible.
Definition: scexception.h:87
TwoBodyMOIntsTransform computes two-body integrals in MO basis using parallel integrals-direct AO->MO...
Definition: transform_tbint.h:52
std::string type() const
Implementation of TwoBodyMOIntsTransform::type()
Definition: transform_ijxy.h:64
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