LIBINT 2.9.0
onep_1_1.h
1/*
2 * Copyright (C) 2004-2024 Edward F. Valeev
3 *
4 * This file is part of Libint compiler.
5 *
6 * Libint compiler is free software: you can redistribute it and/or modify
7 * it under the terms of the GNU General Public License as published by
8 * the Free Software Foundation, either version 3 of the License, or
9 * (at your option) any later version.
10 *
11 * Libint compiler is distributed in the hope that it will be useful,
12 * but WITHOUT ANY WARRANTY; without even the implied warranty of
13 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
14 * GNU General Public License for more details.
15 *
16 * You should have received a copy of the GNU General Public License
17 * along with Libint compiler. If not, see <http://www.gnu.org/licenses/>.
18 *
19 */
20
21#ifndef _libint2_src_bin_libint_onep11_h_
22#define _libint2_src_bin_libint_onep11_h_
23
24#include <integral.h>
25#include <integral_1_1.h>
26
27namespace libint2 {
28
31template <>
32inline bool GenIntegralSet_1_1<CGF, ElecPotOper, mType>::this_precomputed()
33 const {
35 if (parent_type::bra_.member(0, 0).zero() &&
36 parent_type::ket_.member(0, 0).zero() &&
37 !parent_type::bra_.member(0, 0).contracted() &&
38 !parent_type::ket_.member(0, 0).contracted() &&
39 parent_type::bra_.member(0, 0).deriv().zero() &&
40 parent_type::ket_.member(0, 0).deriv().zero())
41 return true;
42 else
43 return false;
44}
45
47template <>
49 const {
51 if (parent_type::bra_.member(0, 0).zero() &&
52 parent_type::ket_.member(0, 0).zero() &&
53 !parent_type::bra_.member(0, 0).contracted() &&
54 !parent_type::ket_.member(0, 0).contracted() &&
55 parent_type::bra_.member(0, 0).deriv().zero() &&
56 parent_type::ket_.member(0, 0).deriv().zero())
57 return true;
58 else
59 return false;
60}
61
62}; // namespace libint2
63
64#endif
bool auto_unroll() const
Implements GenIntegralSet::auto_unroll()
Definition integral_1_1.impl.h:32
Defaults definitions for various parameters assumed by Libint.
Definition algebra.cc:24