ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.

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ProtoMol Class List

Here are the classes, structs, unions and interfaces with brief descriptions:
ProtoMol::AbstractEnumType< T, noCase >
ProtoMol::AngleThis class contains the information for one Angle
ProtoMol::AngleInfo
ProtoMol::AngleSystemForce< TBoundaryConditions >
ProtoMol::AngleSystemForceBase
ProtoMol::Array< T, N >
ProtoMol::Array< T, N >::RefArray< N >
ProtoMol::Array< T, N >::RefArray< 1 >
ProtoMol::Array< T, 0 >
ProtoMol::Array< T, 1 >
ProtoMol::ArrayCellListStructure
ProtoMol::ArraySize< N >
ProtoMol::ArraySizes
ProtoMol::Atom
ProtoMol::AtomType
ProtoMol::BankLennardJonesParameterTable
ProtoMol::BBKIntegrator
ProtoMol::Bond
ProtoMol::Bond::Constraint
ProtoMol::BondSystemForce< TBoundaryConditions >
ProtoMol::BondSystemForceBase
ProtoMol::BSpline
ProtoMol::BSplineEnumBSpline MOLLY types
ProtoMol::BSplineMOLLYIntegrator
ProtoMol::BSplineMOLLYIntegrator::AngleIndex
ProtoMol::BSplineMOLLYIntegrator::BondIndex
ProtoMol::C1SwitchingFunction
ProtoMol::C1SwitchingFunctionBase
ProtoMol::C2SwitchingFunction
ProtoMol::C2SwitchingFunctionBase
ProtoMol::CellListEnumerator< TBoundaryConditions, TCellManager >
ProtoMol::CellListEnumerator< PeriodicBoundaryConditions, CubicCellManager >
ProtoMol::CellListEnumerator< PeriodicBoundaryConditions, CubicCellManager >::CellPair
ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >
ProtoMol::CellListEnumerator< VacuumBoundaryConditions, CubicCellManager >::CellPair
ProtoMol::CompareForce
ProtoMol::CompareForce::CompareError
ProtoMol::ComplementSwitchingFunction< TOriginalSwitchingFunction >
ProtoMol::ComplementSwitchingFunctionBase
ProtoMol::Configuration
ProtoMol::ConfigurationReader
ProtoMol::ConstraintValueEnumMap of Value constraints
ProtoMol::ConstraintValueEnum::Enum2Type< e >
ProtoMol::CoulombEwaldRealForce
ProtoMol::CoulombEwaldRealTableForce
ProtoMol::CoulombForce
ProtoMol::CoulombForce::C1
ProtoMol::CoulombForce::C2
ProtoMol::CoulombForce::C3
ProtoMol::CoulombForce::C4
ProtoMol::CoulombMultiGridDirectForce< TKernel >
ProtoMol::CoulombMultiGridDirectForceBase
ProtoMol::CoulombMultiGridDirectTableForce< TKernel >
ProtoMol::CoulombMultiGridDirectTableForceBase
ProtoMol::CubicCellLocation
ProtoMol::CubicCellManager
ProtoMol::CutoffSwitchingFunction
ProtoMol::CutoffSwitchingFunctionBase
ProtoMol::Cycles
ProtoMol::DCDTrajectoryReader
ProtoMol::DCDTrajectoryWriter
ProtoMol::Report::debug
ProtoMol::DebugPostConstraint
ProtoMol::DebugPreConstraint
ProtoMol::DihedralHMCIntegrator
ProtoMol::DihedralSystemForce< TBoundaryConditions >
ProtoMol::DihedralSystemForceBase
ProtoMol::DLMCIntegrator
ProtoMol::DMDLeapfrogIntegrator
ProtoMol::ElectricFieldSystemForce< TBoundaryConditions, TSwitchingFunction, TConstraint >
ProtoMol::ElectricFieldSystemForceBase
ProtoMol::Endian
ProtoMol::Enum2ValueTraits< ValueType::BOOL >
ProtoMol::Enum2ValueTraits< ValueType::FORCE >
ProtoMol::Enum2ValueTraits< ValueType::INT >
ProtoMol::Enum2ValueTraits< ValueType::INTEGRATOR >
ProtoMol::Enum2ValueTraits< ValueType::REAL >
ProtoMol::Enum2ValueTraits< ValueType::STRING >
ProtoMol::Enum2ValueTraits< ValueType::UINT >
ProtoMol::Enum2ValueTraits< ValueType::VECTOR >
ProtoMol::Enum2ValueTraits< ValueType::VECTOR3D >
ProtoMol::EquilibriumMOLLYIntegrator
ProtoMol::EquilibriumMOLLYIntegrator::HydrogenBond
ProtoMol::ExclusionEnum
ProtoMol::ExclusionPair
ProtoMol::ExclusionTable
ProtoMol::ExtendedCompareForce
ProtoMol::ExtendedForce
ProtoMol::ExtendedTimeForce
ProtoMol::ExternalGravitationSystemForce
ProtoMol::ExternalMagneticFieldExtendedForce
ProtoMol::Factory< Type >
ProtoMol::FactoryBase< Type >
ProtoMol::FactoryTraits< Force >
ProtoMol::FactoryTraits< GenericTopology >
ProtoMol::FactoryTraits< Integrator >
ProtoMol::FactoryTraits< Output >
ProtoMol::FFTComplex
ProtoMol::FFTInternal
ProtoMol::File
ProtoMol::TypeSelection::Float< size >
ProtoMol::Force
ProtoMol::ForceFactoryDetails
ProtoMol::ForceFactoryDetails::ForceType
ProtoMol::ForceGroup
Format
ProtoMol::FrictionExtendedForce
ProtoMol::GenericTopology
ProtoMol::GravitationForce
ProtoMol::Grid< TInterpolation >
ProtoMol::Grid< TInterpolation >::Int3D
ProtoMol::Grid< TInterpolation >::Interpolation3D3d interpolation
ProtoMol::HapticSystemForce
HapticSystemForceBase
ProtoMol::HarmDihedralSystemForce< TBoundaryConditions >
ProtoMol::HarmDihedralSystemForceBase
ProtoMol::HBondConstraint
ProtoMol::HelpText
ProtoMol::HelpTextFactory
ProtoMol::Hermite
ProtoMol::HMCIntegrator
ProtoMol::IMDElf
ProtoMol::IMD::IMDEnergies
ProtoMol::IMD::IMDheader
ProtoMol::ImproperSystemForce< TBoundaryConditions >
ProtoMol::ImproperSystemForceBase
ProtoMol::ImpulseIntegrator
ProtoMol::InputBoundaryConditionsIdentifier
ProtoMol::InputCellManagerIdentifier
ProtoMol::InputConfigIdentifier
ProtoMol::InputDebugIdentifier
ProtoMol::InputDihedralMultPSFIdentifier
ProtoMol::InputFirststepIdentifier
ProtoMol::InputIntegratorIdentifier
ProtoMol::InputMaxPackagesIdentifier
ProtoMol::InputMolVirialCalcIdentifier
ProtoMol::InputNumstepsIdentifier
ProtoMol::InputOutputfreqIdentifier
ProtoMol::InputOutputIdentifier
ProtoMol::InputParallelModeIdentifier
ProtoMol::InputParallelPipeIdentifier
ProtoMol::InputPARIdentifier
ProtoMol::InputPDBScalingIdentifier
ProtoMol::InputPositionsIdentifier
ProtoMol::InputPosVel
ProtoMol::InputPosVelEnum
ProtoMol::InputPSFIdentifier
ProtoMol::InputRattleEpsilonIdentifier
ProtoMol::InputRattleIdentifier
ProtoMol::InputRattleMaxIterIdentifier
ProtoMol::InputReducedImageIdentifier
ProtoMol::InputRemoveAngularMomentumIdentifier
ProtoMol::InputRemoveLinearMomentumIdentifier
ProtoMol::InputSeedIdentifier
ProtoMol::InputShakeEpsilonIdentifier
ProtoMol::InputShakeIdentifier
ProtoMol::InputShakeMaxIterIdentifier
ProtoMol::InputTemperatureIdentifier
ProtoMol::InputUseBarrierIdentifier
ProtoMol::InputValue< TBase, type, constraint >
ProtoMol::InputVelocitiesIdentifier
ProtoMol::InputVirialCalcIdentifier
ProtoMol::TypeSelection::Int< size >
ProtoMol::Integrator
ProtoMol::IntegratorDefinition
ProtoMol::IntegratorFactoryDetails
ProtoMol::IntegratorFactoryDetails::IntegratorInput
ProtoMol::iSGAngleSystemForce< TBoundaryConditions >
ProtoMol::iSGAngleSystemForceBase
ProtoMol::iSGBondSystemForce< TBoundaryConditions >
ProtoMol::iSGBondSystemForceBase
ProtoMol::iSGCoulombEwaldRealForce
ProtoMol::iSGCoulombEwaldRealTableForce
ProtoMol::iSGCoulombForce
ProtoMol::iSGCoulombForce::C1
ProtoMol::iSGCoulombForce::C2
ProtoMol::iSGCoulombForce::C3
ProtoMol::iSGCoulombForce::C4
ProtoMol::iSGDihedralSystemForce< TBoundaryConditions >
ProtoMol::iSGDihedralSystemForceBase
ProtoMol::iSGGrid< TInterpolation >
ProtoMol::iSGGrid< TInterpolation >::Int3D
ProtoMol::iSGGrid< TInterpolation >::Interpolation3D
ProtoMol::iSGIdealGasCoulombForce
ProtoMol::iSGIdealGasCoulombForce::C1
ProtoMol::iSGIdealGasCoulombForce::C2
ProtoMol::iSGIdealGasCoulombForce::C3
ProtoMol::iSGIdealGasCoulombForce::C4
ProtoMol::iSGIdealGasLennardJonesForce
ProtoMol::iSGImproperSystemForce< TBoundaryConditions >
ProtoMol::iSGImproperSystemForceBase
ProtoMol::iSGIntegrator
ProtoMol::iSGLennardJonesForce
ProtoMol::iSGLennardJonesTableForce
ProtoMol::iSGModifierPostForceChemostat
ProtoMol::iSGModifierPreForceChemostat
ProtoMol::iSGMTorsionSystemForce< TBoundaryConditions >
ProtoMol::iSGNonbondedFullEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TSwitchingFunction >
ProtoMol::iSGNonbondedFullEwaldSystemForceBase
ProtoMol::iSGNonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >
ProtoMol::iSGNonbondedPMEwaldSystemForceBase
ProtoMol::iSGOneAtomPair< TBoundaryConditions, TSwitchingFunction, TNonbondedForce, TConstraint >
ProtoMol::iSGOneAtomPairFull< TBoundaryConditions, TSwitchingFunction, TNonbondedForce, TConstraint >
ProtoMol::iSGOneAtomPairTwo< TBoundaryConditions, TSwitchingFunctionFirst, TNonbondedForceFirst, TSwitchingFunctionSecond, TNonbondedForceSecond, TConstraint >
ProtoMol::iSGOneAtomPairTwoFull< TBoundaryConditions, TSwitchingFunctionFirst, TNonbondedForceFirst, TSwitchingFunctionSecond, TNonbondedForceSecond, TConstraint >
ProtoMol::iSGPAR
ProtoMol::iSGPAR::Angle
ProtoMol::iSGPAR::AtomTypeThis class contains information common to one type of atom
ProtoMol::iSGPAR::Bond
ProtoMol::iSGPAR::Dihedral
ProtoMol::iSGPAR::Improper
ProtoMol::iSGPAR::NonbondedThis structure holds data for an atom's nonbonded parameters
ProtoMol::iSGPARReader
std::istringstream
ProtoMol::Lagrange
ProtoMol::LangevinImpulseIntegrator
ProtoMol::LeapfrogIntegrator
ProtoMol::LennardJonesForce
ProtoMol::LennardJonesParametersThe Lennard-Jones parameters for one pair of atom types
ProtoMol::LennardJonesParameterTable
ProtoMol::LennardJonesTableForce
ProtoMol::ltstrNocase
ProtoMol::MagneticDipoleForce
ProtoMol::MagneticDipoleMirrorSystemForce< TBoundaryConditions >
ProtoMol::MagneticDipoleMirrorSystemForceBase
ProtoMol::Makeable
ProtoMol::MakeableDefinition
ProtoMol::Matrix3by3
ProtoMol::MCIntegrator
ProtoMol::MetaForce
ProtoMol::Modifier
ProtoMol::ModifierAveraging
ProtoMol::ModifierFriction
ProtoMol::ModifierIncrementTimestep
ProtoMol::ModifierISG
ProtoMol::ModifierISG::TransformMap
ProtoMol::ModifierMetaRattle
ProtoMol::ModifierMetaRattleShake
ProtoMol::ModifierMetaShake
ProtoMol::ModifierMollification
ProtoMol::ModifierNPTRattle< TIntegrator >
ProtoMol::ModifierNPTRattleDetails
ProtoMol::ModifierNPTShake< TIntegrator >
ProtoMol::ModifierNPTShakeDetails
ProtoMol::ModifierNVTRattle< TIntegrator >
ProtoMol::ModifierNVTRattleDetails
ProtoMol::ModifierNVTShake< TIntegrator >
ProtoMol::ModifierNVTShakeDetails
ProtoMol::ModifierPostForceBarostat< TIntegrator >
ProtoMol::ModifierPostForceThermostat< TIntegrator >
ProtoMol::ModifierPreForceBarostat< TIntegrator >
ProtoMol::ModifierPreForceThermostat< TIntegrator >
ProtoMol::ModifierRattle
ProtoMol::ModifierRemoveAngularMomentum
ProtoMol::ModifierRemoveLinearMomentum
ProtoMol::ModifierShake
ProtoMol::ModifierUmbrella
ProtoMol::ModifierUpdateBeta
ProtoMol::ModifierUpdateBetaAndPush
ProtoMol::Molecule
ProtoMol::MollyForce
ProtoMol::MOLLYIntegrator
ProtoMol::MTorsionSystemForce< TBoundaryConditions >
ProtoMol::MTSIntegrator
ProtoMol::MultiGrid< TInterpolation, TKernel, pbcX, pbcY, pbcZ >
ProtoMol::MultiGrid< TInterpolation, TKernel, pbcX, pbcY, pbcZ >::Int3D
ProtoMol::MultiGrid< TInterpolation, TKernel, pbcX, pbcY, pbcZ >::Interpolation3D3D interpolation
ProtoMol::Report::MyStreamer
ProtoMol::IMD::netint
ProtoMol::NoConstraint
ProtoMol::NonbondedCutoffForce< TCellManager, TOneAtomPair, TForce, TImplForce >
ProtoMol::NonbondedCutoffForceBase
ProtoMol::NonbondedCutoffMollyForce< TCellManager, TOneAtomPair >
ProtoMol::NonbondedCutoffSystemForce< TCellManager, TOneAtomPair >
ProtoMol::NonbondedFullEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TSwitchingFunction >
ProtoMol::NonbondedFullEwaldSystemForceBase
ProtoMol::NonbondedFullSystemForce< TOneAtomPair >
ProtoMol::NonbondedFullSystemForceBase
ProtoMol::NonbondedMultiGridSystemForce< TBoundaryConditions, TCellManager, TInterpolation, TKernel, direct, correction, smooth >
ProtoMol::NonbondedMultiGridSystemForceBase
ProtoMol::NonbondedPMEwaldSystemForce< TBoundaryConditions, TCellManager, real, reciprocal, correction, TInterpolation, TSwitchingFunction >
ProtoMol::NonbondedPMEwaldSystemForceBase
ProtoMol::NonbondedSimpleFullSystemForce< TOneAtomPair >
ProtoMol::NonbondedSimpleFullSystemForceBase
ProtoMol::NonStandardIntegrator
ProtoMol::NoseNVTLeapfrogIntegrator
ProtoMol::NotSameMoleculeConstraint
ProtoMol::NPTVerletIntegrator
ProtoMol::NVTVerletIntegrator
ProtoMol::ObjectDefinition
ProtoMol::OneAtomPair< TBoundaryConditions, TSwitchingFunction, TNonbondedForce, TConstraint >
ProtoMol::OneAtomPairFull< TBoundaryConditions, TSwitchingFunction, TNonbondedForce, TConstraint >
ProtoMol::OneAtomPairTwo< TBoundaryConditions, TSwitchingFunctionFirst, TNonbondedForceFirst, TSwitchingFunctionSecond, TNonbondedForceSecond, TConstraint >
ProtoMol::OneAtomPairTwoFull< TBoundaryConditions, TSwitchingFunctionFirst, TNonbondedForceFirst, TSwitchingFunctionSecond, TNonbondedForceSecond, TConstraint >
ProtoMol::OneMollyPair< TBoundaryConditions, TSwitchingFunction, TNonbondedForce >
ProtoMol::OneMollyPairTwo< TBoundaryConditions, TSwitchingFunctionFirst, TNonbondedForceFirst, TSwitchingFunctionSecond, TNonbondedForceSecond >
std::ostringstream
ProtoMol::Output
ProtoMol::OutputCache
ProtoMol::OutputCollection
ProtoMol::OutputDCDTrajectory
ProtoMol::OutputDiffusion
ProtoMol::OutputDihedrals
ProtoMol::OutputEnergies
ProtoMol::OutputFactoryDetails
ProtoMol::OutputFile
ProtoMol::OutputFinalPDBPos
ProtoMol::OutputFinalPSF
ProtoMol::OutputFinalXSC
ProtoMol::OutputFinalXYZBinPos
ProtoMol::OutputFinalXYZBinVel
ProtoMol::OutputFinalXYZPos
ProtoMol::OutputFinalXYZVel
ProtoMol::OutputISGProperties
ProtoMol::OutputMomentum
ProtoMol::OutputPaulTrap
ProtoMol::OutputPDBFramePos
ProtoMol::OutputScreen
ProtoMol::OutputTemperatures
ProtoMol::OutputXYZTrajectoryForce
ProtoMol::OutputXYZTrajectoryPos
ProtoMol::OutputXYZTrajectoryVel
ProtoMol::PairIntSortedPair of sorted int, where first <= second
ProtoMol::PAR
ProtoMol::PAR::Angle
ProtoMol::PAR::Bond
ProtoMol::PAR::Dihedral
ProtoMol::PAR::HbondThis structure holds data for hydrogen bonds, including the well depth and the minimum radius
ProtoMol::PAR::Improper
ProtoMol::PAR::Nbfix
ProtoMol::PAR::NonbondedThis structure holds data for a nonbonded - including
ProtoMol::Parallel
ProtoMol::ParallelEnum
ProtoMol::Parameter
ProtoMol::PARReader
ProtoMol::PARWriter
ProtoMol::PaulTrapExtendedForce< TBoundaryConditions >
ProtoMol::PaulTrapExtendedForceBase
ProtoMol::PaulTrapIntegrator
ProtoMol::PDB
ProtoMol::PDB::PDBAtom
ProtoMol::PDBReader
ProtoMol::PDBWriter
ProtoMol::PeriodicBoundaryConditions
ProtoMol::PGM
ProtoMol::PGMReader
ProtoMol::PGMWriter
ProtoMol::PLeapfrogIntegrator
ProtoMol::PNGWriter
ProtoMol::PPM
ProtoMol::PPMReader
ProtoMol::PPMWriter
ProtoMol::Proxy
ProtoMol::PSF
ProtoMol::PSF::Acceptor
ProtoMol::PSF::Angle
ProtoMol::PSF::Atom
ProtoMol::PSF::Bond
ProtoMol::PSF::Dihedral
ProtoMol::PSF::Donor
ProtoMol::PSF::Improper
ProtoMol::PSF::Ngrp
ProtoMol::PSF::Nonbonded
ProtoMol::PSFReader
ProtoMol::PSFWriter
ProtoMol::RangeSwitchingFunction< TOriginalSwitchingFunction >
ProtoMol::RangeSwitchingFunctionBase
ProtoMol::Reader
ProtoMol::ReducedHessAngle
ProtoMol::ReducedHessCoulomb
ProtoMol::ReducedHessLennardJones
ProtoMol::ReducedHessTraits< CoulombForce >
ProtoMol::ReducedHessTraits< LennardJonesForce >
ProtoMol::RefArray< T, N >
ProtoMol::RefArray< T, 1 >
ProtoMol::Report::reportlevel
ProtoMol::SameMoleculeConstraint
ProtoMol::ScalarStructure
ProtoMol::TypeSelection::SelectType< size, A, B >
ProtoMol::TypeSelection::SelectTypeCheck< A, size >
ProtoMol::TypeSelection::SelectTypeCheckHelper< cmp, A >
ProtoMol::TypeSelection::SelectTypeCheckHelper< true, A >
ProtoMol::TypeSelection::SelectTypeHelper< cmp, A, B >
ProtoMol::TypeSelection::SelectTypeHelper< true, A, B >
ProtoMol::SemiGenericTopology< TBoundaryConditions >
ProtoMol::ShadowHMCIntegrator
ProtoMol::ShiftSwitchingFunction
ProtoMol::ShiftSwitchingFunctionBase
ProtoMol::SphericalSystemForce
ProtoMol::Stack< T >
ProtoMol::StandardIntegrator
std::stringbuf
std::stringstream
std::stringstreambase
ProtoMol::STSIntegrator
ProtoMol::SystemCompareForce
ProtoMol::SystemForce
ProtoMol::SystemTimeForce
ProtoMol::Text
ProtoMol::ThermostatEnum
ProtoMol::TimeForce
ProtoMol::Timer
ProtoMol::TimeRep
ProtoMol::TimerStatistic
ProtoMol::Topology< TBoundaryConditions, TCellManager >
ProtoMol::TopologyFactoryDetails
ProtoMol::Torsion
ProtoMol::TRANS
ProtoMol::TRANS::AtomType
ProtoMol::TRANSReader
ProtoMol::TripleIntTriple of int
ProtoMol::UmbrellaIntegrator
ProtoMol::UniversalSwitchingFunction
ProtoMol::UniversalSwitchingFunctionBase
ProtoMol::VacuumBoundaryConditions
ProtoMol::Value
ProtoMol::Value::Holder< ValueTrait, Constraint >
ProtoMol::Value::PlaceHolder
ProtoMol::Value::Undefined
ProtoMol::ValueEnum
ProtoMol::ValueEnum::Enum2ValueType< e >
ProtoMol::ValueTraits< bool >BOOL
ProtoMol::ValueTraits< char[n]>
ProtoMol::ValueTraits< const char[n]>
ProtoMol::ValueTraits< int >INT
ProtoMol::ValueTraits< Real >REAL
ProtoMol::ValueTraits< std::string >STRING
ProtoMol::ValueTraits< std::vector< Real > >VECTOR
ProtoMol::ValueTraits< unsigned int >UINT
ProtoMol::ValueTraits< ValueType::Force >FORCE
ProtoMol::ValueTraits< ValueType::Integrator >INTEGRATOR
ProtoMol::ValueTraits< Vector3D >VECTOR3D
ProtoMol::Vector< T >
ProtoMol::Vector3D
ProtoMol::Vector3DBlock
ProtoMol::VectorPacker< T, N >
ProtoMol::WrapperMetaForce
ProtoMol::Writer
ProtoMol::XFigWriter
ProtoMol::XSC
ProtoMol::XSCReader
ProtoMol::XSCWriter
ProtoMol::XYZ
ProtoMol::XYZBinReader
ProtoMol::XYZBinWriter
ProtoMol::XYZReader
ProtoMol::XYZTrajectoryReader
ProtoMol::XYZTrajectoryWriter
ProtoMol::XYZWriter
zomplex
Last update: . GNU GENERAL PUBLIC LICENSE, copyrighted by the University of Notre Dame and the University of Bergen, Norway.