MagnetizationDensityTests Class Reference

Collaboration diagram for MagnetizationDensityTests:

Public Member Functions
void	testCopyConstructor (const MagnetizationDensity &magdens)
void	testData (const MagnetizationDensity &magdens, const Data &data)
void	testIntegrationFunctions (const MagnetizationDensity &magdens)
void	testGrids (const MagnetizationDensity &magdens)
int	computeBinAccessor (const MagnetizationDensity &magdens, const Position &r, const int spin_index)

Private Types
using	WF = WaveFunctionTypes< QMCTraits::ValueType, QMCTraits::FullPrecValueType >
using	Position = QMCTraits::PosType
using	Data = MagnetizationDensity::Data
using	Real = WF::Real
using	Value = WF::Value

Detailed Description

Definition at line 47 of file test_MagnetizationDensity.cpp.

Member Typedef Documentation

Data

using Data = MagnetizationDensity::Data

private

Definition at line 51 of file test_MagnetizationDensity.cpp.

Position

using Position = QMCTraits::PosType

private

Definition at line 50 of file test_MagnetizationDensity.cpp.

Real

using Real = WF::Real

private

Definition at line 52 of file test_MagnetizationDensity.cpp.

Value

using Value = WF::Value

private

Definition at line 53 of file test_MagnetizationDensity.cpp.

WF

using WF = WaveFunctionTypes<QMCTraits::ValueType, QMCTraits::FullPrecValueType>

private

Definition at line 49 of file test_MagnetizationDensity.cpp.

Member Function Documentation

computeBinAccessor()

int computeBinAccessor ( const MagnetizationDensity &  magdens, const Position &  r, const int  spin_index  )

inline

Definition at line 110 of file test_MagnetizationDensity.cpp.

References MagnetizationDensity::computeBin().

  {
    return magdens.computeBin(r, spin_index);
  }

testCopyConstructor()

void testCopyConstructor ( const MagnetizationDensity &  magdens )

inline

Definition at line 56 of file test_MagnetizationDensity.cpp.

References MagnetizationDensity::center_, qmcplusplus::CHECK(), OperatorEstBase::data_locality_, MagnetizationDensity::gdims_, MagnetizationDensity::grid_, MagnetizationDensity::integrator_, MagnetizationDensity::nsamples_, OHMMS_DIM, and MagnetizationDensity::rcorner_.

  {
    MagnetizationDensity magdens2(magdens);
    CHECK(magdens.nsamples_ == magdens2.nsamples_);
    CHECK(magdens.integrator_ == magdens2.integrator_);
    CHECK(magdens.data_locality_ == magdens2.data_locality_);
    for (int idim = 0; idim < OHMMS_DIM; idim++)
    {
      CHECK(magdens.gdims_[idim] == magdens2.gdims_[idim]);
      CHECK(magdens.grid_[idim] == magdens2.grid_[idim]);
      CHECK(magdens.rcorner_[idim] == Approx(magdens2.rcorner_[idim]));
      CHECK(magdens.center_[idim] == Approx(magdens2.center_[idim]));
    }
  }

testData()

void testData ( const MagnetizationDensity &  magdens, const Data &  data  )

inline

Definition at line 71 of file test_MagnetizationDensity.cpp.

References qmcplusplus::CHECK(), and OperatorEstBase::data_.

  {
    for (size_t i = 0; i < data.size(); i++)
      CHECK(magdens.data_[i] == Approx(data[i]));
  }

testGrids()

void testGrids ( const MagnetizationDensity &  magdens )

inline

Definition at line 88 of file test_MagnetizationDensity.cpp.

References qmcplusplus::CHECK(), MagnetizationDensity::generateRandomGrid(), and MagnetizationDensity::generateUniformGrid().

  {
    int npoints = 5;
    std::vector<Real> xgrid(npoints);
    Real start = 0.0;
    Real stop  = 1.5;

    Real delta = (stop - start) / Real(npoints - 1);

    magdens.generateUniformGrid(xgrid, start, stop);
    for (int i = 0; i < npoints; i++)
      CHECK(xgrid[i] == Approx(start + i * delta));

    FakeRandom rng;
    magdens.generateRandomGrid(xgrid, rng, start, stop);

    for (int i = 0; i < npoints; i++)
    {
      bool ok = (xgrid[i] >= start) && (xgrid[i] <= stop);
      CHECK(ok);
    }
  }

testIntegrationFunctions()

void testIntegrationFunctions ( const MagnetizationDensity &  magdens )

inline

Definition at line 77 of file test_MagnetizationDensity.cpp.

References qmcplusplus::CHECK(), and MagnetizationDensity::integrateBySimpsonsRule().

  {
    //For xgrid, we use dx=1.0 from 0 to 8.
    //For ygrid, we use f(x)=x^3.
    std::vector<Value> ygrid = {0, 1, 8, 27, 64, 125, 216, 343, 512};
    Value result_simpsons(0.0);
    result_simpsons = magdens.integrateBySimpsonsRule(ygrid, Real(1.0));

    CHECK(std::real(result_simpsons) == Approx(Real(1024)));
  }

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The documentation for this class was generated from the following file:

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/Estimators/tests/test_MagnetizationDensity.cpp