InvalidOneBodyDensityMatricesInput.h

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//////////////////////////////////////////////////////////////////////////////////////
// This file is distributed under the University of Illinois/NCSA Open Source License.
// See LICENSE file in top directory for details.
//
// Copyright (c) 2024 QMCPACK developers.
//
// File developed by: Peter Doak, doakpw@ornl.gov, Oak Ridge National Lab
//
// File created by: Peter Doak, doakpw@ornl.gov, Oak Ridge National Lab
//////////////////////////////////////////////////////////////////////////////////////

#ifndef QMCPLUSPLUS_INVALID_OBDM_INPUT_H
#define QMCPLUSPLUS_INVALID_OBDM_INPUT_H

#include <array>

namespace qmcplusplus
{
namespace testing
{
struct InvalidOneBodyDensityMatricesInput
{
  static constexpr std::array<const char*, 4> xml{
      R"(
<estimator type="dm1b" name="DensityMatrices">
  <parameter name="basis"        >  spo_u spo_uv  </parameter>
  <parameter name="evaluator"    >  matrix        </parameter>
  <parameter name="integrator"   >  path          </parameter>
  <parameter name="scale"        > -0.2           </parameter>
  <parameter name="samples"      >  64            </parameter>
  <parameter name="timestep"     >  0.5           </parameter>
  <parameter name="use_drift"    >  no            </parameter>
</estimator>
)",
      R"(
<estimator type="dm1b" name="DensityMatrices">
  <parameter name="basis"        >  dm_basis      </parameter>
  <parameter name="evaluator"    >  loop          </parameter>
  <parameter name="integrator"   >  uniform       </parameter>
  <parameter name="samples"      >  128           </parameter>
  <parameter name="scale"        >  1.1           </parameter>
  <parameter name="timestep"     >  0.5           </parameter>
  <parameter name="use_drift"    >  yes           </parameter>
</estimator>
)",
      R"(
<estimator type="dm1b" name="DensityMatrices">
  <parameter name="basis"        >  dm_basis      </parameter>
  <parameter name="evaluator"    >  loop          </parameter>
  <parameter name="integrator"   >  uniform_grid  </parameter>
  <parameter name="points"       >  22            </parameter>
  <parameter name="scale"        >  0.8           </parameter>
  <parameter name="timestep"     >  0.5           </parameter>
  <parameter name="use_drift"    >  yes           </parameter>
  <parameter name="acceptance_ratio"> yes         </parameter>
</estimator>
)",
      R"(
<estimator type="dm1b" name="DensityMatrices">
  <parameter name="basis"        >  dm_basis      </parameter>
  <parameter name="evaluator"    >  loop          </parameter>
  <parameter name="integrator"   >  uniform_grid  </parameter>
  <parameter name="samples"      >  128           </parameter>
  <parameter name="scale"        >  0.8           </parameter>
  <parameter name="timestep"     >  0.5           </parameter>
  <parameter name="use_drift"    >  yes           </parameter>
  <parameter name="acceptance_ratio"> yes         </parameter>
</estimator>
)"};
  enum
  {
    BAD_INTEGRATOR = 0,
    BAD_SCALE,
    BAD_ACCEPTANCE_RATIO,
    UNIFORM_GRID_SAMPLES
  };
};
} // namespace testing
} // namespace qmcplusplus

#endif