28#ifndef _chemistry_qc_intv3_tbintv3_h
29#define _chemistry_qc_intv3_tbintv3_h
31#include <chemistry/qc/basis/tbint.h>
32#include <chemistry/qc/intv3/int2e.h>
37class TwoBodyIntV3 :
public TwoBodyInt {
53 size_t storage_used() {
return int2ev3_->storage_used(); }
59class TwoBodyThreeCenterIntV3 :
public TwoBodyThreeCenterInt {
69 ~TwoBodyThreeCenterIntV3();
74 size_t storage_used() {
return int2ev3_->storage_used(); }
80class TwoBodyTwoCenterIntV3 :
public TwoBodyTwoCenterInt {
89 ~TwoBodyTwoCenterIntV3();
94 size_t storage_used() {
return int2ev3_->storage_used(); }
100class TwoBodyDerivIntV3 :
public TwoBodyDerivInt {
105 TwoBodyDerivIntV3(
Integral*integral,
111 ~TwoBodyDerivIntV3();
116 size_t storage_used() {
return int2ev3_->storage_used(); }
DerivCenters keeps track the centers that derivatives are taken with respect to.
Definition dercent.h:41
The Integral abstract class acts as a factory to provide objects that compute one and two electron in...
Definition integral.h:58
A template class that maintains references counts.
Definition ref.h:332
void compute_shell(int, int, int, int, DerivCenters &)
Given for shell indices, this will cause the integral buffer to be filled in.
int log2_shell_bound(int, int, int, int)
Return log base 2 of the maximum magnitude of any integral in a shell block.
void set_integral_storage(size_t storage)
This storage is used to cache computed integrals.
int log2_shell_bound(int, int, int, int)
Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_she...
void compute_shell(int, int, int, int)
Given four shell indices, integrals will be computed and placed in the buffer.
Integral * integral() const
Return the integral factory that was used to create this object.
Definition tbint.h:141
void compute_shell(int, int, int)
Given three shell indices, integrals will be computed and placed in the buffer.
int log2_shell_bound(int, int, int)
Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_she...
void set_integral_storage(size_t storage)
This storage is used to cache computed integrals.
Integral * integral() const
Return the integral factory that was used to create this object.
Definition tbint.h:234
void set_integral_storage(size_t storage)
This storage is used to cache computed integrals.
void compute_shell(int, int)
Given four shell indices, integrals will be computed and placed in the buffer.
int log2_shell_bound(int, int)
Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_she...
Integral * integral() const
Return the integral factory that was used to create this object.
Definition tbint.h:320