QMCPACK
ValidMagnetizationDensityInput.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) 2023 QMCPACK developers.
6 //
7 // File developed by: Raymond Clay, rclay@sandia.gov, Sandia National Laboratories
8 //
9 // File created by: Raymond Clay, rclay@sandia.gov, Sandia National Laboratories
10 //////////////////////////////////////////////////////////////////////////////////////
11 
12 #ifndef QMCPLUSPLUS_VALID_MAGNETIZATIONDENSITY_INPUT_H
13 #define QMCPLUSPLUS_VALID_MAGNETIZATIONDENSITY_INPUT_H
14 
15 #include <array>
16 #include <string_view>
17 
18 namespace qmcplusplus
19 {
20 namespace testing
21 {
22 namespace magdensity
23 {
24 enum Inputs
25 {
30 };
31 
32 // clang-format: off
33 constexpr std::array<std::string_view, 4> valid_mag_density_input_sections{
34  R"XML(
35 <estimator type="MagnetizationDensity" name="magdensity">
36  <parameter name="integrator" > simpsons </parameter>
37  <parameter name="samples" > 64 </parameter>
38  <parameter name="center" > 0.0 0.0 0.1 </parameter>
39  <parameter name="grid" > 4 3 2 </parameter>
40 </estimator>
41 )XML",
42  R"XML(
43 <estimator type="MagnetizationDensity" name="magdensity">
44  <parameter name="integrator" > montecarlo </parameter>
45  <parameter name="samples" > 128 </parameter>
46  <parameter name="dr" > 0.01 0.02 0.03 </parameter>
47 </estimator>
48 )XML",
49  R"XML(
50 <estimator type="MagnetizationDensity" name="magdensity">
51  <parameter name="samples" > 32 </parameter>
52  <parameter name="corner" > 0.0 0.0 0.1 </parameter>
53  <parameter name="grid" > 4 3 2 </parameter>
54 </estimator>
55 )XML",
56  R"XML(
57 <estimator type="MagnetizationDensity" name="magdensity">
58  <parameter name="integrator" > simpsons </parameter>
59  <parameter name="samples" > 9 </parameter>
60  <parameter name="corner" > 0.0 0.0 0.0 </parameter>
61  <parameter name="grid" > 2 2 2 </parameter>
62 </estimator>
63 )XML"
64  // clang-format: on
65 };
66 } // namespace magdensity
67 
68 } // namespace testing
69 } // namespace qmcplusplus
70 
71 #endif
helper functions for EinsplineSetBuilder
Definition: Configuration.h:43
constexpr std::array< std::string_view, 4 > valid_mag_density_input_sections