QMCPACK
ValidSpinDensityInput.h
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//////////////////////////////////////////////////////////////////////////////////////
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// This file is distributed under the University of Illinois/NCSA Open Source License.
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// See LICENSE file in top directory for details.
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//
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// Copyright (c) 2024 QMCPACK developers.
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//
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// File developed by: Peter Doak, doakpw@ornl.gov, Oak Ridge National Lab
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//
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// File created by: Peter Doak, doakpw@ornl.gov, Oak Ridge National Lab
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//////////////////////////////////////////////////////////////////////////////////////
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#ifndef QMCPLUSPLUS_VALIDSPINDENSITYINPUT_H
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#define QMCPLUSPLUS_VALIDSPINDENSITYINPUT_H
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#include <array>
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namespace
qmcplusplus
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{
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namespace
testing
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{
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struct
ValidSpinDensityInput
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{
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static
constexpr std::array<std::string_view, 3>
xml
{
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R
"XML(
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<estimator name="spindensity_new" type="spindensity" report="yes">
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<parameter name="grid">
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10 10 10
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</parameter>
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<parameter name="center">
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0.0 0.0 0.0
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</parameter>
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<parameter name="cell">
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3.37316115 3.37316115 0.00000000
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0.00000000 3.37316115 3.37316115
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3.37316115 0.00000000 3.37316115
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</parameter>
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</estimator>
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)XML",
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R
"XML(
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<estimator name="spindensity_new" type="spindensity" report="yes">
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<parameter name="dr">
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.4777 .4777 .4777
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</parameter>
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<parameter name="center">
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0.0 0.0 0.0
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</parameter>
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<parameter name="cell">
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3.37316115 3.37316115 0.00000000
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0.00000000 3.37316115 3.37316115
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3.37316115 0.00000000 3.37316115
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</parameter>
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</estimator>
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)XML",
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R
"XML(
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<estimator name="spindensity_new" type="spindensity" report="yes">
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<parameter name="dr">
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.4777 .4777 .4777
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</parameter>
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<parameter name="center">
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0.0 0.0 0.0
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</parameter>
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</estimator>
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)XML"};
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enum
valid
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{
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GRID
= 0,
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DR
,
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NOCELL
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};
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};
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}
// namespace testing
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}
// namespace qmcplusplus
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#endif
/* QMCPLUSPLUS_VALIDSPINDENSITYINPUT_H */
qmcplusplus::testing::ValidSpinDensityInput::valid
valid
Definition:
ValidSpinDensityInput.h:66
qmcplusplus
helper functions for EinsplineSetBuilder
Definition:
Configuration.h:43
qmcplusplus::testing::ValidSpinDensityInput::NOCELL
Definition:
ValidSpinDensityInput.h:70
qmcplusplus::testing::ValidSpinDensityInput::GRID
Definition:
ValidSpinDensityInput.h:68
qmcplusplus::testing::ValidSpinDensityInput::xml
static constexpr std::array< std::string_view, 3 > xml
Definition:
ValidSpinDensityInput.h:24
qmcplusplus::testing::ValidSpinDensityInput::DR
Definition:
ValidSpinDensityInput.h:69
qmcplusplus::testing::ValidSpinDensityInput
Definition:
ValidSpinDensityInput.h:22
src
Estimators
tests
ValidSpinDensityInput.h
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