NaNguard Class Reference

Collaboration diagram for NaNguard:

Static Public Member Functions
static void	checkOneParticleRatio (const PsiValue &ratio, const std::string_view info)
	check if ratio is NaN and throw an error if yes. More...
static void	checkOneParticleGradients (const GradType &grads, const std::string_view info)
	check if any gradient component (x,y,z) is NaN and throw an error if yes. More...

Private Types
using	PsiValue = QMCTraits::QTFull::ValueType
using	GradType = QMCTraits::GradType

Detailed Description

Definition at line 21 of file NaNguard.h.

Member Typedef Documentation

GradType

using GradType = QMCTraits::GradType

private

Definition at line 24 of file NaNguard.h.

PsiValue

using PsiValue = QMCTraits::QTFull::ValueType

private

Definition at line 23 of file NaNguard.h.

Member Function Documentation

checkOneParticleGradients()

void checkOneParticleGradients ( const GradType &  grads, const std::string_view  info  )

static

check if any gradient component (x,y,z) is NaN and throw an error if yes.

Parameters

grads	gradients to be checked
message	printout to indicate what the issue is.

Definition at line 29 of file NaNguard.cpp.

References qmcplusplus::dot(), qmcplusplus::isnan(), norm(), and TinyVector< T, D >::size().

Referenced by TrialWaveFunction::calcRatioGrad(), TrialWaveFunction::calcRatioGradWithSpin(), TrialWaveFunction::evalGrad(), TrialWaveFunction::evalGradWithSpin(), TrialWaveFunction::mw_calcRatioGrad(), TrialWaveFunction::mw_evalGrad(), and qmcplusplus::TEST_CASE().

{
  if (qmcplusplus::isnan(std::norm(dot(grads, grads))))
  {
    std::ostringstream error_message;
    error_message << "NaNguard::checkOneParticleGradients error message: " << info << std::endl;
    for (int i = 0; i < grads.size(); ++i)
      if (qmcplusplus::isnan(std::norm(grads[i])))
        error_message << "  grads[" << i << "] = " << grads[i] << std::endl;
    throw std::runtime_error(error_message.str());
  }
}

checkOneParticleRatio()

void checkOneParticleRatio ( const PsiValue &  ratio, const std::string_view  info  )

static

check if ratio is NaN and throw an error if yes.

Parameters

ratio	psi ratio to be checked
message	printout to indicate what the issue is.

Definition at line 18 of file NaNguard.cpp.

References qmcplusplus::isnan(), and norm().

Referenced by TrialWaveFunction::calcRatio(), TrialWaveFunction::calcRatioGrad(), TrialWaveFunction::calcRatioGradWithSpin(), TrialWaveFunction::mw_calcRatio(), TrialWaveFunction::mw_calcRatioGrad(), and qmcplusplus::TEST_CASE().

{
  if (qmcplusplus::isnan(std::norm(ratio)))
  {
    std::ostringstream error_message;
    error_message << "NaNguard::checkOneParticleRatio error message: " << info << std::endl
                  << "  ratio = " << ratio << std::endl;
    throw std::runtime_error(error_message.str());
  }
}

---

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

• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCWaveFunctions/NaNguard.h
• /home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCWaveFunctions/NaNguard.cpp