QMCPACK Modules#
This is an in-depth look at all of the user-facing classes and functions in Nexus that relate to QMCPACK.
The QMCPACK utilities are split across 9 modules:
qmcpack_convertersqmcpack_analyzer_base
- QMCPACK Input
is_intis_floatis_arrayattribute_to_valueyesnoyesnostronezerotruefalserender_boolQIobjmetasectioncollectionmake_collectionclasscollectionQmcpackInputCollectionsNamesQIxmlQIxmlFactoryParamset_rsqmc_modeset_afqmc_modeQmcpackInputBundledQmcpackInputTracedQmcpackInputQmcpackInputTemplategenerate_simulationcellgenerate_particlesetsgenerate_sposetsgenerate_sposet_buildergenerate_bspline_buildergenerate_heg_builderpartition_sposetsgenerate_determinantsetcheck_excitation_typegenerate_determinantset_oldgenerate_hamiltoniangenerate_estimators_batchedprocess_dm1b_estimatorgenerate_jastrowsgenerate_jastrows_altgenerate_jastrowgenerate_jastrow1generate_bspline_jastrow2generate_pade_jastrow2generate_jastrow2generate_jastrow3generate_kspace_jastrowcount_jastrow_paramsgenerate_energydensitygenerate_optgenerate_optsgenerate_opt_calculationsgenerate_vmc_calculationsgenerate_dmc_calculationsgenerate_legacy_opt_calculationsgenerate_legacy_vmc_calculationsgenerate_legacy_dmc_calculationsgenerate_batched_opt_calculationsgenerate_batched_vmc_calculationsgenerate_batched_dmc_calculationsgenerate_qmcpack_inputread_jastrowsgenerate_basic_inputgenerate_basic_afqmc_inputgenerate_opt_jastrow_inputc
- QMCPACK
- QMCPACK Analyzers
QmcpackAnalyzerCapabilitiesQmcpackAnalysisRequestQmcpackAnalyzerMethodAnalyzerOptAnalyzerVmcAnalyzerDmcAnalyzerBsplineRadialJastrowJastrow1BJastrow2BPropertyAnalyzerWavefunctionAnalyzerQuantityAnalyzerDatAnalyzerScalarsDatAnalyzerDmcDatAnalyzerHDFAnalyzerScalarsHDFAnalyzerEnergyDensityAnalyzerTracesFileHDFTracesAnalyzerDMSettingsDensityMatricesAnalyzerDensityAnalyzerBaseSpinDensityAnalyzerStructureFactorAnalyzerDensityAnalyzeris_integerSpaceGridInitializerSpaceGridBaseRectilinearGridInitializerRectilinearGridVoronoiGridInitializerVoronoiGridSpaceGridResultAnalyzerOptimizationAnalyzerTimestepStudyAnalyzer