LIBINT  2.6.0
onep_1_1.h
1 /*
2  * Copyright (C) 2004-2019 Edward F. Valeev
3  *
4  * This file is part of Libint.
5  *
6  * Libint 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  *
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14  * GNU General Public License for more details.
15  *
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17  * along with Libint. 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 
27 using namespace std;
28 
29 namespace libint2 {
30 
32  template <>
33  inline bool
34  GenIntegralSet_1_1<CGF,ElecPotOper,mType>::this_precomputed() const
35  {
37  if (parent_type::bra_.member(0,0).zero() &&
38  parent_type::ket_.member(0,0).zero() &&
39  parent_type::bra_.member(0,0).contracted() == false &&
40  parent_type::ket_.member(0,0).contracted() == false &&
41  parent_type::bra_.member(0,0).deriv().zero() &&
42  parent_type::ket_.member(0,0).deriv().zero()
43  )
44  return true;
45  else
46  return false;
47  }
48 
50 template <>
51 inline bool
53 {
55  if (parent_type::bra_.member(0,0).zero() &&
56  parent_type::ket_.member(0,0).zero() &&
57  parent_type::bra_.member(0,0).contracted() == false &&
58  parent_type::ket_.member(0,0).contracted() == false &&
59  parent_type::bra_.member(0,0).deriv().zero() &&
60  parent_type::ket_.member(0,0).deriv().zero()
61  )
62  return true;
63  else
64  return false;
65 }
66 
67 };
68 
69 #endif
70 
Defaults definitions for various parameters assumed by Libint.
Definition: algebra.cc:24
Generic integral over a one-body operator with one bfs for each particle in bra and ket.
Definition: integral_1_1.h:33