xGEMS

Interface Documentation

  • Python Dictionaries Interface Reference
    • ChemicalEngineDicts
      • ChemicalEngineDicts.IS
      • ChemicalEngineDicts.P
      • ChemicalEngineDicts.T
      • ChemicalEngineDicts.activate_multiple_phases()
      • ChemicalEngineDicts.activate_multiple_species()
      • ChemicalEngineDicts.activate_phase()
      • ChemicalEngineDicts.activate_species()
      • ChemicalEngineDicts.add_amt_from_formula()
      • ChemicalEngineDicts.add_element_amt()
      • ChemicalEngineDicts.add_multiple_elements_amt()
      • ChemicalEngineDicts.add_multiple_species_amt()
      • ChemicalEngineDicts.add_species_amt()
      • ChemicalEngineDicts.aq_composition
      • ChemicalEngineDicts.aq_el_M
      • ChemicalEngineDicts.aq_el_my
      • ChemicalEngineDicts.aq_elements_amounts
      • ChemicalEngineDicts.aq_elements_molality
      • ChemicalEngineDicts.aq_elements_molarity
      • ChemicalEngineDicts.aq_elements_moles
      • ChemicalEngineDicts.aq_phase_symbol
      • ChemicalEngineDicts.aq_sp_M
      • ChemicalEngineDicts.aq_sp_my
      • ChemicalEngineDicts.aq_species_composition
      • ChemicalEngineDicts.aq_species_molality
      • ChemicalEngineDicts.aq_species_molarity
      • ChemicalEngineDicts.aq_volume_frac
      • ChemicalEngineDicts.bulk_composition
      • ChemicalEngineDicts.clear()
      • ChemicalEngineDicts.clear_b_aq_part()
      • ChemicalEngineDicts.cold_start()
      • ChemicalEngineDicts.element_molar_masses
      • ChemicalEngineDicts.element_names
      • ChemicalEngineDicts.equilibrate()
      • ChemicalEngineDicts.gas_phase_symbol
      • ChemicalEngineDicts.get_b_from_formula()
      • ChemicalEngineDicts.ionic_strength
      • ChemicalEngineDicts.multiple_species_lower_bound()
      • ChemicalEngineDicts.multiple_species_upper_bound()
      • ChemicalEngineDicts.nelements
      • ChemicalEngineDicts.nphases
      • ChemicalEngineDicts.nspecies
      • ChemicalEngineDicts.pE
      • ChemicalEngineDicts.pH
      • ChemicalEngineDicts.phase_amounts
      • ChemicalEngineDicts.phase_elements_amounts
      • ChemicalEngineDicts.phase_masses
      • ChemicalEngineDicts.phase_molar_volume
      • ChemicalEngineDicts.phase_names
      • ChemicalEngineDicts.phase_sat_indices
      • ChemicalEngineDicts.phase_species_amounts()
      • ChemicalEngineDicts.phase_species_ln_activities
      • ChemicalEngineDicts.phase_species_ln_activity_coefficients
      • ChemicalEngineDicts.phase_species_lower_bounds
      • ChemicalEngineDicts.phase_species_moles()
      • ChemicalEngineDicts.phase_species_upper_bounds
      • ChemicalEngineDicts.phase_volume_frac
      • ChemicalEngineDicts.phase_volumes
      • ChemicalEngineDicts.phases_SI
      • ChemicalEngineDicts.phases_elements_moles
      • ChemicalEngineDicts.phases_mass
      • ChemicalEngineDicts.phases_molar_volume
      • ChemicalEngineDicts.phases_moles
      • ChemicalEngineDicts.phases_sat_index
      • ChemicalEngineDicts.phases_volume
      • ChemicalEngineDicts.phases_volume_frac
      • ChemicalEngineDicts.reset_aq_composition()
      • ChemicalEngineDicts.set_bulk_composition()
      • ChemicalEngineDicts.set_multiple_species_lower_bound()
      • ChemicalEngineDicts.set_multiple_species_upper_bound()
      • ChemicalEngineDicts.set_species_G0()
      • ChemicalEngineDicts.set_species_lower_bound()
      • ChemicalEngineDicts.set_species_upper_bound()
      • ChemicalEngineDicts.set_vector_b()
      • ChemicalEngineDicts.solid_elements_amounts()
      • ChemicalEngineDicts.solid_mass_frac
      • ChemicalEngineDicts.solid_volume_frac
      • ChemicalEngineDicts.solids_elements_moles()
      • ChemicalEngineDicts.solids_mass_frac
      • ChemicalEngineDicts.solids_volume_frac
      • ChemicalEngineDicts.species_amounts
      • ChemicalEngineDicts.species_charges
      • ChemicalEngineDicts.species_in_phase
      • ChemicalEngineDicts.species_ln_activities
      • ChemicalEngineDicts.species_ln_activity_coefficients
      • ChemicalEngineDicts.species_lower_bounds
      • ChemicalEngineDicts.species_molar_mass
      • ChemicalEngineDicts.species_molar_volumes
      • ChemicalEngineDicts.species_moles
      • ChemicalEngineDicts.species_names
      • ChemicalEngineDicts.species_upper_bounds
      • ChemicalEngineDicts.suppress_multiple_phases()
      • ChemicalEngineDicts.suppress_multiple_species()
      • ChemicalEngineDicts.suppress_phase()
      • ChemicalEngineDicts.suppress_species()
      • ChemicalEngineDicts.system_mass
      • ChemicalEngineDicts.system_volume
      • ChemicalEngineDicts.vector_b
      • ChemicalEngineDicts.vector_b_from_formula()
      • ChemicalEngineDicts.warm_start()
  • Python Interface Reference
    • ChemicalEngine
      • ChemicalEngine.Eh()
      • ChemicalEngine.aqueousPhaseName()
      • ChemicalEngine.chemicalPotentials()
      • ChemicalEngine.converged()
      • ChemicalEngine.elapsedTime()
      • ChemicalEngine.elementAmounts()
      • ChemicalEngine.elementAmountsInPhase()
      • ChemicalEngine.elementAmountsInSpecies()
      • ChemicalEngine.elementMolarMasses()
      • ChemicalEngine.elementName()
      • ChemicalEngine.equilibrate()
      • ChemicalEngine.formulaMatrix()
      • ChemicalEngine.gasPhaseName()
      • ChemicalEngine.indexElement()
      • ChemicalEngine.indexFirstSpeciesInPhase()
      • ChemicalEngine.indexPhase()
      • ChemicalEngine.indexPhaseAll()
      • ChemicalEngine.indexPhaseWithSpecies()
      • ChemicalEngine.indexSpecies()
      • ChemicalEngine.indexSpeciesAll()
      • ChemicalEngine.initialize()
      • ChemicalEngine.initializeFromJsonStrings()
      • ChemicalEngine.ionicStrength()
      • ChemicalEngine.lnActivities()
      • ChemicalEngine.lnActivityCoefficients()
      • ChemicalEngine.lnConcentrations()
      • ChemicalEngine.moleFractions()
      • ChemicalEngine.numElements()
      • ChemicalEngine.numIterations()
      • ChemicalEngine.numPhases()
      • ChemicalEngine.numSpecies()
      • ChemicalEngine.numSpeciesInPhase()
      • ChemicalEngine.options
      • ChemicalEngine.pH()
      • ChemicalEngine.pe()
      • ChemicalEngine.phaseAmount()
      • ChemicalEngine.phaseAmounts()
      • ChemicalEngine.phaseDensities()
      • ChemicalEngine.phaseDensity()
      • ChemicalEngine.phaseEnthalpies()
      • ChemicalEngine.phaseEnthalpy()
      • ChemicalEngine.phaseEntropies()
      • ChemicalEngine.phaseEntropy()
      • ChemicalEngine.phaseHeatCapacitiesConstP()
      • ChemicalEngine.phaseHeatCapacityConstP()
      • ChemicalEngine.phaseMass()
      • ChemicalEngine.phaseMasses()
      • ChemicalEngine.phaseMolarEnthalpy()
      • ChemicalEngine.phaseMolarEntropy()
      • ChemicalEngine.phaseMolarGibbsEnergy()
      • ChemicalEngine.phaseMolarHeatCapacityConstP()
      • ChemicalEngine.phaseMolarVolume()
      • ChemicalEngine.phaseName()
      • ChemicalEngine.phaseSatIndex()
      • ChemicalEngine.phaseSatIndices()
      • ChemicalEngine.phaseSpecificEnthalpy()
      • ChemicalEngine.phaseSpecificEntropy()
      • ChemicalEngine.phaseSpecificGibbsEnergy()
      • ChemicalEngine.phaseSpecificHeatCapacityConstP()
      • ChemicalEngine.phaseSpecificVolume()
      • ChemicalEngine.phaseVolume()
      • ChemicalEngine.phaseVolumes()
      • ChemicalEngine.pressure()
      • ChemicalEngine.readDbrFromFile()
      • ChemicalEngine.readDbrFromJsonString()
      • ChemicalEngine.reequilibrate()
      • ChemicalEngine.setB()
      • ChemicalEngine.setColdStart()
      • ChemicalEngine.setPT()
      • ChemicalEngine.setSpeciesAmount()
      • ChemicalEngine.setSpeciesAmounts()
      • ChemicalEngine.setSpeciesLowerLimit()
      • ChemicalEngine.setSpeciesLowerLimits()
      • ChemicalEngine.setSpeciesUpperLimit()
      • ChemicalEngine.setSpeciesUpperLimits()
      • ChemicalEngine.setStandardMolarGibbsEnergy()
      • ChemicalEngine.setWarmStart()
      • ChemicalEngine.speciesAmount()
      • ChemicalEngine.speciesAmounts()
      • ChemicalEngine.speciesCharge()
      • ChemicalEngine.speciesLowerLimits()
      • ChemicalEngine.speciesMolalities()
      • ChemicalEngine.speciesMolarMasses()
      • ChemicalEngine.speciesName()
      • ChemicalEngine.speciesUpperLimits()
      • ChemicalEngine.standardMolarEnthalpy()
      • ChemicalEngine.standardMolarEntropy()
      • ChemicalEngine.standardMolarGibbsEnergy()
      • ChemicalEngine.standardMolarHeatCapacityConstP()
      • ChemicalEngine.standardMolarVolume()
      • ChemicalEngine.systemEnthalpy()
      • ChemicalEngine.systemEntropy()
      • ChemicalEngine.systemGibbsEnergy()
      • ChemicalEngine.systemHeatCapacityConstP()
      • ChemicalEngine.systemMass()
      • ChemicalEngine.systemVolume()
      • ChemicalEngine.temperature()
      • ChemicalEngine.writeDbrToFile()
      • ChemicalEngine.writeDbrToJsonString()
  • C++ Interface Reference
    • xGEMS::ChemicalEngine
      • ChemicalEngine()
      • ChemicalEngine()
      • ~ChemicalEngine()
      • ChemicalEngine()
      • operator=()
      • reallocateEngineArrays()
      • initialize()
      • initializeFromJsonStrings()
      • readDbrFromFile()
      • readDbrFromJsonString()
      • writeDbrToFile()
      • writeDbrToJsonString()
      • numElements()
      • numSpecies()
      • numPhases()
      • numSpeciesInPhase()
      • elementName()
      • speciesName()
      • speciesCharge()
      • phaseName()
      • indexElement()
      • indexSpecies()
      • indexSpeciesAll()
      • indexPhase()
      • indexPhaseAll()
      • indexPhaseWithSpecies()
      • indexFirstSpeciesInPhase()
      • elementMolarMasses()
      • speciesMolarMasses()
      • formulaMatrix()
      • setSpeciesAmounts()
      • setSpeciesAmount()
      • setSpeciesAmount()
      • setOptions()
      • options()
      • setWarmStart()
      • setColdStart()
      • setSpeciesUpperLimit()
      • setSpeciesLowerLimit()
      • setSpeciesUpperLimit()
      • setSpeciesLowerLimit()
      • setStandardMolarGibbsEnergy()
      • setSpeciesUpperLimits()
      • setSpeciesLowerLimits()
      • setPT()
      • setB()
      • reequilibrate()
      • reequilibrate()
      • equilibrate()
      • converged()
      • numIterations()
      • elapsedTime()
      • temperature()
      • pressure()
      • elementAmounts()
      • elementAmountsInPhase()
      • elementAmountsInSpecies()
      • speciesAmounts()
      • speciesAmount()
      • speciesAmount()
      • speciesUpperLimits()
      • speciesLowerLimits()
      • speciesMolalities()
      • moleFractions()
      • lnActivityCoefficients()
      • lnActivities()
      • lnConcentrations()
      • chemicalPotentials()
      • standardMolarGibbsEnergy()
      • standardMolarEnthalpy()
      • standardMolarVolume()
      • standardMolarEntropy()
      • standardMolarHeatCapacityConstP()
      • phaseMolarGibbsEnergy()
      • phaseMolarEnthalpy()
      • phaseMolarVolume()
      • phaseMolarEntropy()
      • phaseMolarHeatCapacityConstP()
      • phaseSpecificGibbsEnergy()
      • phaseSpecificEnthalpy()
      • phaseSpecificVolume()
      • phaseSpecificEntropy()
      • phaseSpecificHeatCapacityConstP()
      • phaseDensities()
      • phaseDensity()
      • phaseMasses()
      • phaseMass()
      • phaseAmounts()
      • phaseAmount()
      • phaseVolumes()
      • phaseVolume()
      • phaseEnthalpies()
      • phaseEnthalpy()
      • phaseEntropies()
      • phaseEntropy()
      • phaseHeatCapacitiesConstP()
      • phaseHeatCapacityConstP()
      • phaseSatIndices()
      • phaseSatIndex()
      • systemMass()
      • systemVolume()
      • ionicStrength()
      • pH()
      • pe()
      • Eh()
      • systemGibbsEnergy()
      • systemEnthalpy()
      • systemEntropy()
      • systemHeatCapacityConstP()
      • aqueousPhaseName()
      • gasPhaseName()
      • pimpl
    • xGEMS::ChemicalEngineMaps
      • ChemicalEngineMaps()
      • equilibrate()
      • cold_start()
      • warm_start()
      • clear()
      • set_species_G0()
      • set_bulk_composition()
      • reset_aq_composition()
      • nelements()
      • nphases()
      • nspecies()
      • element_names()
      • species_names()
      • phase_names()
      • aq_phase_symbol()
      • gas_phase_symbol()
      • element_molar_masses()
      • species_in_phase()
      • species_charges()
      • species_molar_mass()
      • species_molar_volumes()
      • bulk_composition()
      • pH()
      • pE()
      • ionic_strength()
      • system_volume()
      • system_mass()
      • phases_molar_volume()
      • phase_sat_indices()
      • aq_elements_molarity()
      • aq_elements_molality()
      • aq_species_molarity()
      • aq_species_molality()
      • aq_elements_moles()
      • solids_elements_moles()
      • phases_elements_moles()
      • phases_moles()
      • species_moles()
      • species_ln_activities()
      • species_ln_activity_coefficients()
      • species_upper_bounds()
      • species_lower_bounds()
      • phase_species_moles()
      • solids_mass_frac()
      • solids_volume_frac()
      • aq_volume_frac()
      • phases_volume()
      • phases_mass()
      • phases_volume_frac()
      • add_multiple_species_amt()
      • add_species_amt()
      • add_element_amt()
      • add_multiple_elements_amt()
      • add_amt_from_formula()
      • get_b_from_formula()
      • set_multiple_species_lower_bound()
      • set_multiple_species_upper_bound()
      • set_species_lower_bound()
      • set_species_upper_bound()
      • set_species_lower_bound()
      • set_species_upper_bound()
      • suppress_phase()
      • suppress_multiple_phases()
      • suppress_species()
      • suppress_multiple_species()
      • activate_phase()
      • activate_multiple_phases()
      • activate_multiple_species()
      • activate_species()
      • phase_species_moles()
      • phase_species_ln_activities()
      • phase_species_ln_activity_coefficients()
      • phase_species_upper_bounds()
      • phase_species_lower_bounds()
      • T
      • P
      • to_map()
      • to_phase_species_map()
      • clear_vector()
      • b_amounts
      • input_file
      • gem
      • m_element_names
      • m_species_names
      • m_phase_names
      • m_aq_phase_symbol
      • m_gas_phase_symbol
      • m_element_molar_masses
      • m_species_in_phase
      • m_species_charges
      • m_species_molar_mass
      • m_species_molar_volumes
    • xGEMS::ChemicalEngineOptions
      • warmstart
      • print_zero_amounts
    • xGEMS
      • ValuesMap
      • PhaseValuesMap
      • Vector
      • VectorXd
      • VectorXi
      • VectorRef
      • VectorXdRef
      • VectorXiRef
      • VectorConstRef
      • VectorXdConstRef
      • VectorXiConstRef
      • VectorMap
      • VectorXdMap
      • VectorXiMap
      • VectorConstMap
      • VectorXdConstMap
      • VectorXiConstMap
      • Matrix
      • MatrixXd
      • MatrixXi
      • MatrixRef
      • MatrixXdRef
      • MatrixXiRef
      • MatrixConstRef
      • MatrixXdConstRef
      • MatrixXiConstRef
      • MatrixMap
      • MatrixXdMap
      • MatrixXiMap
      • MatrixConstMap
      • MatrixXdConstMap
      • MatrixXiConstMap
      • Index
      • update_loggers()
      • printWrappedTable()
      • operator<<()
      • _status_encoder
      • all
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