Simpatico  v1.10
DdMd::PairPotential Member List

This is the complete list of members for DdMd::PairPotential, 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
associate(Domain &domain, Boundary &boundary, AtomStorage &storage)DdMd::PairPotential
boundary()DdMd::PairPotentialinlineprotected
buildCellList()DdMd::PairPotential
buildPairList()DdMd::PairPotential
cellList()DdMd::PairPotentialinline
cellList_DdMd::PairPotentialprotected
className() const Util::ParamCompositeinline
clearCommunicator()Util::MpiFileIo
computeEnergy(MPI::Intracomm &communicator)=0DdMd::Potentialpure virtual
computeForces()=0DdMd::Potentialpure virtual
computeForcesAndStress(MPI::Intracomm &communicator)DdMd::Potentialvirtual
computeNPair(MPI::Intracomm &communicator)DdMd::PairPotential
computePairEnergies(MPI::Intracomm &communicator)=0DdMd::PairPotentialpure virtual
computeStress(MPI::Intracomm &communicator)DdMd::Potentialinlinevirtual
cutoff() const DdMd::PairPotentialinline
cutoff_DdMd::PairPotentialprotected
domain()DdMd::PairPotentialinlineprotected
echo()Util::ParamComponentstatic
energy() const DdMd::Potential
get(std::string name, int i, int j) const =0DdMd::PairPotentialpure virtual
hasIoCommunicator() const Util::MpiFileIoinline
IArchive typedefUtil::Serializable
incrementPairStress(const Vector &f, const Vector &dr, Tensor &stress) const DdMd::Potentialinlineprotected
indent() const Util::ParamComponent
initialize(const Boundary &maxBoundary, double skin, int pairCapacity)DdMd::PairPotential
initStatic()Util::ParamComponentstatic
interactionClassName() const =0DdMd::PairPotentialpure virtual
ioCommunicator() const Util::MpiFileIoinline
isActive() const Util::ParamCompositeinline
isEnergySet() const DdMd::Potential
isIoProcessor() const Util::MpiFileIoinline
isRequired() const Util::ParamCompositeinline
isStressSet() const DdMd::Potential
isValid(MPI::Intracomm &communicator) const DdMd::Potentialvirtual
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)DdMd::PairPotentialvirtual
maxBoundary_DdMd::PairPotentialprotected
maxPairCutoff() const =0DdMd::PairPotentialpure virtual
methodId() const DdMd::PairPotentialinline
MpiFileIo()Util::MpiFileIo
MpiFileIo(const MpiFileIo &other)Util::MpiFileIo
nCellCut_DdMd::PairPotentialprotected
nPair() const DdMd::PairPotential
OArchive typedefUtil::Serializable
pairCapacity_DdMd::PairPotentialprotected
pairEnergies() const DdMd::PairPotential
pairEnergy(double rsq, int iAtomType, int jAtomType) const =0DdMd::PairPotentialpure virtual
pairForceOverR(double rsq, int iAtomType, int jAtomType) const =0DdMd::PairPotentialpure virtual
pairList()DdMd::PairPotentialinline
pairList_DdMd::PairPotentialprotected
PairPotential(Simulation &simulation)DdMd::PairPotential
PairPotential()DdMd::PairPotential
ParamComponent()Util::ParamComponentprotected
ParamComponent(const ParamComponent &other)Util::ParamComponentprotected
ParamComposite()Util::ParamComposite
ParamComposite(const ParamComposite &other)Util::ParamComposite
ParamComposite(int capacity)Util::ParamComposite
Potential()DdMd::Potential
pressure() const DdMd::Potential
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
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(std::istream &in)Util::ParamCompositevirtual
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)DdMd::PairPotentialvirtual
readParamOptional(std::istream &in)Util::ParamCompositevirtual
reduceEnergy(double localEnergy, MPI::Intracomm &communicator)DdMd::Potentialprotected
reduceStress(Tensor &localStress, MPI::Intracomm &communicator)DdMd::Potentialprotected
resetParam()Util::ParamCompositevirtual
reverseUpdateFlag() const DdMd::Potentialinline
save(Serializable::OArchive &ar)DdMd::PairPotentialvirtual
saveOptional(Serializable::OArchive &ar)Util::ParamComposite
serialize(Archive &ar, const unsigned int version)Util::ParamComponent
set(std::string name, int i, int j, double value)=0DdMd::PairPotentialpure virtual
setClassName(const char *className)Util::ParamCompositeprotected
setEcho(bool echo=true)Util::ParamComponentstatic
setEnergy(double energy)DdMd::Potentialprotected
setIndent(const ParamComponent &parent, bool next=true)Util::ParamComponent
setIoCommunicator(MPI::Intracomm &communicator)Util::MpiFileIo
setIsActive(bool isActive)Util::ParamCompositeprotected
setIsRequired(bool isRequired)Util::ParamCompositeprotected
setMethodId(int methodId)DdMd::PairPotentialinline
setNAtomType(int nAtomType)=0DdMd::PairPotentialpure virtual
setPairEnergies(DMatrix< double > pairEnergies)DdMd::PairPotentialprotected
setParent(ParamComponent &param, bool next=true)Util::ParamCompositeprotected
setReverseUpdateFlag(bool reverseUpdateFlag)DdMd::Potential
setStress(const Tensor &stress)DdMd::Potentialprotected
skin() const DdMd::PairPotentialinline
skin_DdMd::PairPotentialprotected
storage()DdMd::PairPotentialinlineprotected
stress() const DdMd::Potential
unsetEnergy()DdMd::Potential
unsetPairEnergies()DdMd::PairPotential
unsetStress()DdMd::Potential
writeParam(std::ostream &out)Util::ParamCompositevirtual
~PairPotential()DdMd::PairPotentialvirtual
~ParamComponent()Util::ParamComponentvirtual
~ParamComposite()Util::ParamCompositevirtual
~Potential()DdMd::Potentialvirtual
~Serializable()Util::Serializableinlinevirtual
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