qmcplusplus::Units::charge Namespace Reference

Variables
const real	C = 1.e0
const real	e = 1.60217646e-19 * C

Variable Documentation

C

const real C = 1.e0

Definition at line 77 of file unit_conversion.h.

Referenced by MultiQuinticSpline1D< T >::add_spline(), LatticeAnalyzer< T, 3 >::calcSimulationCellRadius(), Cholesky(), CountingJastrowBuilder::createCJ(), SlaterDetBuilder::createMSDFast(), CubicFormula(), det(), qmcplusplus::MatrixOperators::diag_product(), qmcplusplus::evalX(), qmcplusplus::cuBLAS::geam(), qmcplusplus::compute::BLAS::gemm(), BLAS::gemm(), qmcplusplus::syclBLAS::gemm(), qmcplusplus::ompBLAS::gemm< double >(), qmcplusplus::ompBLAS::gemm< float >(), qmcplusplus::ompBLAS::gemm< std::complex< double > >(), qmcplusplus::ompBLAS::gemm< std::complex< float > >(), qmcplusplus::compute::BLAS::gemm_batched(), qmcplusplus::ompBLAS::gemm_batched< double >(), qmcplusplus::ompBLAS::gemm_batched< float >(), qmcplusplus::ompBLAS::gemm_batched< std::complex< double > >(), qmcplusplus::ompBLAS::gemm_batched< std::complex< float > >(), qmcplusplus::ompBLAS::gemm_batched_impl(), qmcplusplus::ompBLAS::gemm_impl(), qmcplusplus::cuBLAS::getri_batched(), qmcplusplus::MatrixOperators::half_outerProduct(), hipblasCgetriBatched_(), hipblasDgetriBatched_(), hipblasSgetriBatched_(), hipblasZgetriBatched_(), operator*(), qmcplusplus::MatrixOperators::other_half_outerProduct(), qmcplusplus::MatrixOperators::product(), qmcplusplus::MatrixOperators::product_ABt(), qmcplusplus::Product_ABt(), qmcplusplus::MatrixOperators::product_AtB(), QuinticSplineSolve(), qmcplusplus::saveCusp(), SimCellRad(), qmcplusplus::TEST_CASE(), qmcplusplus::test_gemm(), qmcplusplus::test_gemv(), qmcplusplus::test_one_gemm(), qmcplusplus::test_one_gemv(), and TestCholesky().

e

const real e = 1.60217646e-19 * C

Definition at line 78 of file unit_conversion.h.

Referenced by CoulombPBCAB::add(), qmcplusplus::compute::add_delay_list_save_sigma_VGL_batched(), EinsplineSetBuilder::AnalyzeTwists2(), qmcplusplus::compute::applyW_batched(), BareKineticEnergy::BareKineticEnergy(), MultiQuinticSpline1D< T >::batched_evaluate(), MultiQuinticSpline1D< T >::batched_evaluateVGL(), ECPComponentBuilder::buildL2(), ECPComponentBuilder::buildLocal(), ECPComponentBuilder::buildSO(), qmcplusplus::compute::calcGradients_batched(), BsplineReader::check_twists(), OneBodyDensityMatricesTests< T >::checkData(), GKIntegration< F, GKRule >::CheckError(), WaveFunctionTester::checkGradients(), CheckOrthog(), SimpleFixedNodeBranch::checkParameters(), OneBodyDensityMatricesInput::OneBodyDensityMatricesInputSection::checkParticularValidity(), ACForce::compute_regularizer_f(), WalkerControl::computeCurData(), FiniteDifference::computeFiniteDiffRichardson(), qmcplusplus::compute::BLAS::copy_batched(), qmcplusplus::compute::copyAinvRow_saveGL_batched(), DMCFactoryNew::create(), VMCFactoryNew::create(), qmcplusplus::create_C_pbc_particlesets(), qmcplusplus::createBsplineComplex(), qmcplusplus::createBsplineReal(), QMCGaussianParserBase::createCenterH5(), OneDimGridFactory::createGrid(), ECPComponentBuilder::createGrid(), RadialJastrowBuilder::createJ1(), FreeOrbitalBuilder::createSPOSetFromXML(), ECPComponentBuilder::createVrWithBasisGroup(), ECPComponentBuilder::doBreakUp(), WalkerControlBase::doNotBranch(), kSpaceJastrow::Equivalent(), MultiQuinticSpline1D< T >::evaluate(), CoulombPotential< T >::evaluateAB(), PolynomialFunctor3D::evaluateDerivatives(), BackflowTransformation::evaluatePbyP(), BackflowTransformation::evaluatePbyPAll(), BackflowTransformation::evaluatePbyPWithGrad(), StressPBC::evaluateSR_AB(), QMCMain::executeCMCSection(), RadialOrbitalSetBuilder< COT >::finalize(), SimpleFixedNodeBranch::finalize(), RadialOrbitalSetBuilder< COT >::find_cutoff(), find_minimum(), qmcplusplus::forEach(), qmcplusplus::compute::BLAS::gemm(), qmcplusplus::compute::BLAS::gemm_batched(), qmcplusplus::compute::BLAS::gemv(), qmcplusplus::compute::BLAS::gemv_batched(), qmcplusplus::compute::BLAS::ger(), qmcplusplus::compute::BLAS::ger_batched(), EstimatorManagerNew::getApproximateEnergyVariance(), EstimatorManagerBase::getApproximateEnergyVariance(), qmcplusplus::getCurrentLocalEnergy(), WalkerReconfiguration::getIndexPermutation(), XmlStream::getTag(), QMCCostFunction::GradCost(), QMCCostFunctionBatched::GradCost(), CSUpdateBase::initCSWalkers(), HybridRepSetReader< SA >::initialize_hybridrep_atomic_centers(), SpaceGrid::initialize_rectilinear(), BsplineReader::initialize_spo2band(), GKIntegration< F, GKRule >::Integrate(), qmcplusplus::IntPart(), DiracDeterminant< DU_TYPE >::invertPsiM(), hdf_archive::is_dataset(), hdf_archive::is_dataset_of_type(), ChannelPotential::jl(), LCAOrbitalBuilder::LoadFullCoefsFromH5(), LCAOrbitalBuilder::loadMO(), RotatedSPOs::log_antisym_matrix(), main(), RPAJastrow::makeShortRange(), MCPopulation::measureGlobalEnergyVariance(), qmcplusplus::minimizeForPhiAtZero(), qmcplusplus::minimizeForRc(), NonLocalECPotential::mw_evaluateImpl(), SPOSetInputInfo::occupy_energies(), QMCFixedSampleLinearOptimizeBatched::one_shift_run(), kSpaceJastrow::operator()(), BandInfo::operator<(), KPoint::operator<(), AntiSymTensor< T, D >::AssignProxy::operator=(), AntiSymTensor< T, 1 >::AssignProxy::operator=(), KPoint::operator==(), QMCGaussianParserBase::parameter(), qmcplusplus::parseGridInput(), QMCFixedSampleLinearOptimizeBatched::previous_linear_methods_run(), SPOSetInputInfo::put(), BsplineFunctor< REAL >::put(), eeI_JastrowBuilder::putkids(), LCAOrbitalBuilder::putPBCFromH5(), qmcplusplus::QMCWFOptLinearFactoryNew(), Quadrature3D< T >::Quadrature3D(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::quinticInterpolate(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::quinticInterpolateSecondDeriv(), OneDimQuinticSpline< Td, Tg, CTd, CTg >::quinticInterpolateThirdDeriv(), hdf_archive::readEntry(), EinsplineSetBuilder::ReadOrbitalInfo(), EinsplineSetBuilder::ReadOrbitalInfo_ESHDF(), PolynomialFunctor3D::reset_gamma(), PolynomialFunctor3D::resize(), OptimalGrid::ReverseMap(), QMCFixedSampleLinearOptimize::run(), GradientTest::run(), WaveFunctionTester::runBasicTest(), WaveFunctionTester::runDerivCloneTest(), WaveFunctionTester::runDerivNLPPTest(), WaveFunctionTester::runDerivTest(), SHOState::set(), DensityMatrices1B::set_state(), MCWalkerConfiguration::setLocalEnergy(), QMCGaussianParserBase::setOccupationNumbers(), kSpaceJastrow::setupGvecs(), SFNBranch::SFNBranch(), SimpleFixedNodeBranch::SimpleFixedNodeBranch(), qmcplusplus::sortByIndex(), WalkerControlBase::sortWalkers(), WalkerReconfigurationMPI::swapWalkers(), qmcplusplus::TEMPLATE_TEST_CASE(), qmcplusplus::test_C_diamond(), TEST_CASE(), qmcplusplus::TEST_CASE(), DensityMatrices1B::test_derivatives(), qmcplusplus::test_EtOH_mw(), qmcplusplus::test_HCN(), qmcplusplus::test_hcpBe_rotation(), qmcplusplus::test_J3_polynomial3D(), qmcplusplus::test_lcao_spinor(), qmcplusplus::test_lcao_spinor_excited(), qmcplusplus::test_lcao_spinor_ion_derivs(), OneBodyDensityMatricesTests< T >::testGenerateSamplesForSpinor(), qmcplusplus::testTrialWaveFunction_diamondC_2x1x1(), SHOSetBuilder::update_basis_states(), DescentEngine::updateParameters(), ECPotentialBuilder::useXmlFormat(), EnergyDensityEstimator::write_nonzero_domains(), hdf_archive::writeEntry(), and XmlElement::XmlElement().