Simpatico  v1.10
McMd::McSimulation Member List

This is the complete list of members for McMd::McSimulation, including all inherited members.

add(std::istream &in, const char *label, Type &value, bool isRequired=true)Util::ParamCompositeprotected
addBegin(const char *label)Util::ParamComposite
addBlank()Util::ParamComposite
addCArray(std::istream &in, const char *label, Type *value, int n, bool isRequired=true)Util::ParamCompositeprotected
addCArray2D(std::istream &in, const char *label, Type *value, int m, int n, int np, bool isRequired=true)Util::ParamCompositeprotected
addComponent(ParamComponent &param, bool isLeaf=true)Util::ParamCompositeprotected
addDArray(std::istream &in, const char *label, DArray< Type > &array, int n, bool isRequired=true)Util::ParamCompositeprotected
addDMatrix(std::istream &in, const char *label, DMatrix< Type > &matrix, int m, int n, bool isRequired=true)Util::ParamCompositeprotected
addEnd()Util::ParamComposite
addFArray(std::istream &in, const char *label, FArray< Type, N > &array, bool isRequired=true)Util::ParamCompositeprotected
addParamComposite(ParamComposite &child, bool next=true)Util::ParamComposite
allocateMoleculeSet(Util::ArraySet< Molecule > &set, int speciesId) const McMd::Simulation
analyzeConfigs(int min, int max, std::string basename)McMd::McSimulation
analyzerFactory()McMd::Simulation
analyzerManager()McMd::Simulationinlineprotected
analyzeTrajectory(int min, int max, std::string classname, std::string filename)McMd::McSimulation
angleCapacity() const McMd::Simulationinline
atomCapacity() const McMd::Simulationinline
atomType(int i) const McMd::Simulationinline
atomTypes() const McMd::Simulationinline
bondCapacity() const McMd::Simulationinline
className() const Util::ParamCompositeinline
clearCommunicator()Util::MpiFileIo
commandManager()McMd::Simulationinlineprotected
communicator()McMd::Simulationinline
dihedralCapacity() const McMd::Simulationinline
echo()Util::ParamComponentstatic
fileMaster()McMd::Simulationinline
getMolecule(int speciesId)McMd::Simulation
hasCommunicator() const McMd::Simulationinline
hasCoulomb() const McMd::Simulationinline
hasExternal() const McMd::Simulationinline
hasIoCommunicator() const Util::MpiFileIoinline
hasSpecies() const McMd::Simulationinline
IArchive typedefUtil::Serializable
indent() const Util::ParamComponent
initStatic()Util::ParamComponentstatic
ioCommunicator() const Util::MpiFileIoinline
isActive() const Util::ParamCompositeinline
isIoProcessor() const Util::MpiFileIoinline
isRequired() const Util::ParamCompositeinline
iStep() const McMd::Simulationinline
iStep_McMd::Simulationprotected
isValid() const McMd::McSimulationvirtual
load(const std::string &filename)McMd::McSimulation
McMd::Simulation::load(Serializable::IArchive &ar)Util::ParamCompositevirtual
loadCArray(Serializable::IArchive &ar, const char *label, Type *value, int n, bool isRequired)Util::ParamComposite
loadCArray(Serializable::IArchive &ar, const char *label, Type *value, int n)Util::ParamCompositeinline
loadCArray2D(Serializable::IArchive &ar, const char *label, Type *value, int m, int n, int np, bool isRequired)Util::ParamComposite
loadCArray2D(Serializable::IArchive &ar, const char *label, Type *value, int m, int n, int np)Util::ParamComposite
loadDArray(Serializable::IArchive &ar, const char *label, DArray< Type > &array, int n, bool isRequired)Util::ParamComposite
loadDArray(Serializable::IArchive &ar, const char *label, DArray< Type > &array, int n)Util::ParamCompositeinline
loadDMatrix(Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int m, int n, bool isRequired)Util::ParamComposite
loadDMatrix(Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int m, int n)Util::ParamCompositeinline
loadDSymmMatrix(Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int n, bool isRequired)Util::ParamComposite
loadDSymmMatrix(Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int n)Util::ParamCompositeinline
loadFArray(Serializable::IArchive &ar, const char *label, FArray< Type, N > &array, bool isRequired)Util::ParamComposite
loadFArray(Serializable::IArchive &ar, const char *label, FArray< Type, N > &array)Util::ParamCompositeinline
loadOptional(Serializable::IArchive &ar)Util::ParamCompositevirtual
loadParamComposite(Serializable::IArchive &ar, ParamComposite &child, bool next=true)Util::ParamComposite
loadParamCompositeOptional(Serializable::IArchive &ar, ParamComposite &child, bool next=true)Util::ParamComposite
loadParameter(Serializable::IArchive &ar, const char *label, Type &value, bool isRequired)Util::ParamComposite
loadParameter(Serializable::IArchive &ar, const char *label, Type &value)Util::ParamCompositeinline
loadParameters(Serializable::IArchive &ar)McMd::McSimulationvirtual
maskedPairPolicy() const McMd::Simulationinline
mcMoveFactory()McMd::McSimulation
mcMoveManager()McMd::McSimulationinlineprotected
McSimulation(MPI::Intracomm &communicator)McMd::McSimulation
McSimulation()McMd::McSimulation
moleculeCapacity() const McMd::Simulationinline
MpiFileIo()Util::MpiFileIo
MpiFileIo(const MpiFileIo &other)Util::MpiFileIo
nAngleType() const McMd::Simulationinline
nAtomType() const McMd::Simulationinline
nBondType() const McMd::Simulationinline
nDihedralType() const McMd::Simulationinline
nLinkType() const McMd::Simulationinline
nSpecies() const McMd::Simulation
nSystem() const McMd::Simulationinline
nSystem_McMd::Simulationprotected
OArchive typedefUtil::Serializable
outputOptions(std::ostream &out) const McMd::Simulation
ParamComponent()Util::ParamComponentprotected
ParamComponent(const ParamComponent &other)Util::ParamComponentprotected
ParamComposite()Util::ParamComposite
ParamComposite(const ParamComposite &other)Util::ParamComposite
ParamComposite(int capacity)Util::ParamComposite
random()McMd::Simulationinline
read(std::istream &in, const char *label, Type &value)Util::ParamComposite
readBegin(std::istream &in, const char *label, bool isRequired=true)Util::ParamComposite
readBlank(std::istream &in)Util::ParamComposite
readCArray(std::istream &in, const char *label, Type *value, int n)Util::ParamCompositeinline
readCArray2D(std::istream &in, const char *label, Type *value, int m, int n, int np)Util::ParamCompositeinline
readCommand(std::string command, std::istream &in)McMd::McSimulation
readCommands(std::istream &in)McMd::McSimulation
readCommands()McMd::McSimulation
readDArray(std::istream &in, const char *label, DArray< Type > &array, int n)Util::ParamCompositeinline
readDMatrix(std::istream &in, const char *label, DMatrix< Type > &matrix, int m, int n)Util::ParamCompositeinline
readDSymmMatrix(std::istream &in, const char *label, DMatrix< Type > &matrix, int n)Util::ParamCompositeinline
readEnd(std::istream &in)Util::ParamComposite
readFArray(std::istream &in, const char *label, FArray< Type, N > &array)Util::ParamCompositeinline
readOptional(std::istream &in, const char *label, Type &value)Util::ParamCompositeinline
readOptionalCArray(std::istream &in, const char *label, Type *value, int n)Util::ParamCompositeinline
readOptionalCArray2D(std::istream &in, const char *label, Type *value, int m, int n, int np)Util::ParamCompositeinline
readOptionalDArray(std::istream &in, const char *label, DArray< Type > &array, int n)Util::ParamCompositeinline
readOptionalDMatrix(std::istream &in, const char *label, DMatrix< Type > &matrix, int m, int n)Util::ParamCompositeinline
readOptionalDSymmMatrix(std::istream &in, const char *label, DMatrix< Type > &matrix, int n)Util::ParamCompositeinline
readOptionalFArray(std::istream &in, const char *label, FArray< Type, N > &array)Util::ParamCompositeinline
readParam()McMd::McSimulation
readParam(std::istream &in)McMd::McSimulationvirtual
readParamComposite(std::istream &in, ParamComposite &child, bool next=true)Util::ParamComposite
readParamCompositeOptional(std::istream &in, ParamComposite &child, bool next=true)Util::ParamComposite
readParameters(std::istream &in)McMd::McSimulationvirtual
readParamOptional(std::istream &in)Util::ParamCompositevirtual
resetParam()Util::ParamCompositevirtual
returnMolecule(Molecule &molecule)McMd::Simulation
save(Serializable::OArchive &ar)McMd::McSimulationvirtual
save(const std::string &filename)McMd::McSimulation
saveOptional(Serializable::OArchive &ar)Util::ParamComposite
serialize(Archive &ar, unsigned int version)McMd::McSimulation
setAnalyzerManager(AnalyzerManager *ptr)McMd::Simulationprotected
setClassName(const char *className)Util::ParamCompositeprotected
setCommandManager(CommandManager *ptr)McMd::Simulationprotected
setEcho(bool echo=true)Util::ParamComponentstatic
setIndent(const ParamComponent &parent, bool next=true)Util::ParamComponent
setIoCommunicator(MPI::Intracomm &communicator)McMd::Simulationvirtual
setIoCommunicator()McMd::Simulation
setIsActive(bool isActive)Util::ParamCompositeprotected
setIsRequired(bool isRequired)Util::ParamCompositeprotected
setOptions(int argc, char **argv)McMd::McSimulation
setParent(ParamComponent &param, bool next=true)Util::ParamCompositeprotected
simulate(int endStep, bool isContinuation=false)McMd::McSimulation
Simulation(MPI::Intracomm &communicator)McMd::Simulation
Simulation()McMd::Simulation
species(int i)McMd::Simulation
species(int i) const McMd::Simulation
speciesFactory()McMd::Simulation
system()McMd::McSimulationinline
system() const McMd::McSimulationinline
writeParam(std::string filename)McMd::Simulation
Util::ParamComposite::writeParam(std::ostream &out)Util::ParamCompositevirtual
~McSimulation()McMd::McSimulationvirtual
~ParamComponent()Util::ParamComponentvirtual
~ParamComposite()Util::ParamCompositevirtual
~Serializable()Util::Serializableinlinevirtual
~Simulation()McMd::Simulationvirtual
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