qmcplusplus::Units::energy Namespace Reference

Variables
const real	J = 1.e0
const real	eV = 1.60217646e-19 * J
const real	Ry = 13.6056923 * eV
const real	Ha = 2 * Ry
const real	kJ_mol = 1000. * J / mol
const real	K = J / kb

Variable Documentation

eV

const real eV = 1.60217646e-19 * J

Definition at line 68 of file unit_conversion.h.

Ha

const real Ha = 2 * Ry

Definition at line 70 of file unit_conversion.h.

Referenced by SPOSetInputInfo::put().

J

const real J = 1.e0

Definition at line 67 of file unit_conversion.h.

Referenced by MultiDiracDeterminant::buildTableMatrix_calculateRatios_impl(), CountingJastrowBuilder::createCJ(), CountingGaussianRegion::evaluateDerivatives(), CountingJastrow< RegionType >::evaluateDerivatives(), CountingJastrow< RegionType >::evaluateExponents(), CountingGaussianRegion::evaluateTempDerivatives(), CountingJastrow< RegionType >::evaluateTempExponents(), CountingJastrow< RegionType >::initialize(), MultiDiracDeterminant::mw_buildTableMatrix_calculateRatios_impl(), MultiDiracDeterminant::mw_evaluateDetsAndGradsForPtclMove(), MultiDiracDeterminant::mw_evaluateDetsForPtclMove(), and MultiDiracDeterminant::mw_evaluateGrads().

K

const real K = J / kb

Definition at line 72 of file unit_conversion.h.

Referenced by DMCUpdatePbyPL2::advanceWalker(), RPAJastrow::buildOrbital(), QMCHamiltonian::computeL2DK(), L2Potential::evaluateDK(), BLAS::gemm(), qmcplusplus::ompBLAS::gemm< double >(), qmcplusplus::ompBLAS::gemm< float >(), qmcplusplus::ompBLAS::gemm< std::complex< double > >(), qmcplusplus::ompBLAS::gemm< std::complex< float > >(), 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(), LAPACK::glq(), LAPACK::gqr(), CountingGaussian::put(), qmcplusplus::TEST_CASE(), qmcplusplus::test_gemm(), qmcplusplus::test_gemm_cases(), and qmcplusplus::test_one_gemm().

kJ_mol

const real kJ_mol = 1000. * J / mol

Definition at line 71 of file unit_conversion.h.

Ry

const real Ry = 13.6056923 * eV

Definition at line 69 of file unit_conversion.h.