QMCPACK
ValidSpinDensityInput.h
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1 //////////////////////////////////////////////////////////////////////////////////////
2 // This file is distributed under the University of Illinois/NCSA Open Source License.
3 // See LICENSE file in top directory for details.
4 //
5 // Copyright (c) 2024 QMCPACK developers.
6 //
7 // File developed by: Peter Doak, doakpw@ornl.gov, Oak Ridge National Lab
8 //
9 // File created by: Peter Doak, doakpw@ornl.gov, Oak Ridge National Lab
10 //////////////////////////////////////////////////////////////////////////////////////
11 
12 #ifndef QMCPLUSPLUS_VALIDSPINDENSITYINPUT_H
13 #define QMCPLUSPLUS_VALIDSPINDENSITYINPUT_H
14 
15 #include <array>
16 
17 namespace qmcplusplus
18 {
19 namespace testing
20 {
21 
23 {
24  static constexpr std::array<std::string_view, 3> xml{
25  R"XML(
26 <estimator name="spindensity_new" type="spindensity" report="yes">
27  <parameter name="grid">
28  10 10 10
29  </parameter>
30  <parameter name="center">
31  0.0 0.0 0.0
32  </parameter>
33  <parameter name="cell">
34  3.37316115 3.37316115 0.00000000
35  0.00000000 3.37316115 3.37316115
36  3.37316115 0.00000000 3.37316115
37  </parameter>
38 </estimator>
39 )XML",
40  R"XML(
41 <estimator name="spindensity_new" type="spindensity" report="yes">
42  <parameter name="dr">
43  .4777 .4777 .4777
44  </parameter>
45  <parameter name="center">
46  0.0 0.0 0.0
47  </parameter>
48  <parameter name="cell">
49  3.37316115 3.37316115 0.00000000
50  0.00000000 3.37316115 3.37316115
51  3.37316115 0.00000000 3.37316115
52  </parameter>
53 </estimator>
54 )XML",
55  R"XML(
56 <estimator name="spindensity_new" type="spindensity" report="yes">
57  <parameter name="dr">
58  .4777 .4777 .4777
59  </parameter>
60  <parameter name="center">
61  0.0 0.0 0.0
62  </parameter>
63 </estimator>
64 )XML"};
65 
66  enum valid
67  {
68  GRID = 0,
69  DR,
71  };
72 };
73 
74 } // namespace testing
75 } // namespace qmcplusplus
76 
77 #endif /* QMCPLUSPLUS_VALIDSPINDENSITYINPUT_H */
helper functions for EinsplineSetBuilder
Definition: Configuration.h:43
static constexpr std::array< std::string_view, 3 > xml