PLMD::colvar::Energy Member List

This is the complete list of members for PLMD::colvar::Energy, including all inherited members.

Action(const ActionOptions &)PLMD::Actionexplicit
Action(const Action &a)=deletePLMD::Actionprivate
ActionForInterface(const ActionOptions &ao)PLMD::ActionForInterfaceexplicit
ActionToPutData(const ActionOptions &ao)PLMD::ActionToPutDataexplicit
ActionWithValue(const ActionOptions &ao)PLMD::ActionWithValueexplicit
activate()PLMD::Actionvirtual
activePLMD::Actionprivate
addComponent(const std::string &name, const std::vector< unsigned > &shape=std::vector< unsigned >())PLMD::ActionWithValue
addComponentWithDerivatives(const std::string &name, const std::vector< unsigned > &shape=std::vector< unsigned >())PLMD::ActionWithValuevirtual
addDependency(Action *)PLMD::Action
addValue(const std::vector< unsigned > &shape=std::vector< unsigned >())PLMD::ActionWithValue
addValueWithDerivatives(const std::vector< unsigned > &shape=std::vector< unsigned >())PLMD::ActionWithValuevirtual
afterPLMD::Actionprivate
apply() overridePLMD::colvar::Energyvirtual
beforeUpdate()PLMD::Actioninlinevirtual
calculate() overridePLMD::ActionForInterfaceinlinevirtual
calculateFromPDB(const PDB &)PLMD::Action
calculateNumericalDerivatives(ActionWithValue *a=NULL)PLMD::Actionvirtual
calculateOnUpdate()PLMD::ActionWithValuevirtual
castToActionAtomistic() noexceptPLMD::Actioninlinevirtual
castToActionForInterface() noexcept finalPLMD::ActionForInterfaceinlinevirtual
castToActionShortcut() noexceptPLMD::Actioninlinevirtual
castToActionToGetData() noexceptPLMD::Actioninlinevirtual
castToActionToPutData() noexcept finalPLMD::ActionToPutDatainlinevirtual
castToActionWithArguments() noexceptPLMD::Actioninlinevirtual
castToActionWithValue() noexcept finalPLMD::ActionWithValueinlinevirtual
castToActionWithVirtualAtom() noexceptPLMD::Actioninlinevirtual
castToDomainDecomposition() noexceptPLMD::Actioninlinevirtual
castToPbcAction() noexceptPLMD::Actioninlinevirtual
checkFieldsAllowed()PLMD::ActionWithValueinlinevirtual
checkForDependency(Action *)PLMD::Action
checkForForces()PLMD::ActionWithValueprotected
checkNeedsGradients() constPLMD::Actioninlinevirtual
checkNumericalDerivatives() const overridePLMD::ActionWithValueinlinevirtual
checkRead()PLMD::Action
checkUpdate() constPLMD::Action
cite(const std::string &s)PLMD::Action
clearDependencies()PLMD::Action
clearDerivatives(const bool &force=false) overridePLMD::ActionForInterfaceinlinevirtual
clearInputForces(const bool &force=false)PLMD::ActionWithValuevirtual
clearOptions()PLMD::Actionvirtual
commPLMD::Action
componentIsNotPeriodic(const std::string &name)PLMD::ActionWithValue
componentIsPeriodic(const std::string &name, const std::string &min, const std::string &max)PLMD::ActionWithValue
copyOutput(const std::string &name) constPLMD::ActionWithValue
copyOutput(const unsigned &n) constPLMD::ActionWithValue
d enum valuePLMD::ActionToPutDataprivate
dataCanBeSetPLMD::ActionToPutDataprivate
deactivate()PLMD::Actioninlinevirtual
defaultsPLMD::Actionprivate
Dependencies typedefPLMD::Action
doCheckPointPLMD::Actionprivate
doNotCalculateDerivatives() constPLMD::ActionWithValueinlinevirtual
e enum valuePLMD::ActionToPutDataprivate
Energy(const ActionOptions &)PLMD::colvar::Energyexplicit
eng enum valuePLMD::ActionToPutDataprivate
error(const std::string &msg) constPLMD::Action
exists(const std::string &name) constPLMD::ActionWithValue
exit(int c=0)PLMD::Action
fclose(FILE *fp)PLMD::Action
fflush()PLMD::Action
filesPLMD::Action
firststepPLMD::ActionForInterfaceprotected
fixedPLMD::ActionToPutDataprivate
fopen(const char *path, const char *mode)PLMD::Action
forces_to_scalePLMD::colvar::Energyprivate
forcesForApplyPLMD::ActionWithValueprivate
from_domainsPLMD::ActionToPutDataprivate
funitPLMD::ActionToPutDataprivate
getComponent(const std::string &name) constPLMD::ActionWithValueprivate
getComponentsList() constPLMD::ActionWithValue
getComponentsVector() constPLMD::ActionWithValue
getConstPntrToComponent(int i) constPLMD::ActionWithValueprotected
getCPT() constPLMD::Action
getDefaultString() constPLMD::Actioninline
getDependencies() constPLMD::Actioninline
getExchangeStep() constPLMD::Action
getForcesToApply() constPLMD::ActionWithValueinlineprotected
getKBoltzmann() constPLMD::Actionprotected
getkBT()PLMD::Action
getKeyword(const std::string &key)PLMD::Action
getLabel() constPLMD::Actioninline
getLocalValues(std::vector< double > &vals) constPLMD::ActionToPutData
getMatrixColumnTitles(std::vector< std::string > &argnames) constPLMD::ActionWithValuevirtual
getName() constPLMD::Actioninline
getNumberOfComponents() constPLMD::ActionWithValueinline
getNumberOfDerivatives() overridePLMD::ActionForInterfaceinlinevirtual
getNumberOfForcesToRescale() const overridePLMD::ActionToPutDatavirtual
getOutputComponentDescription(const std::string &cname, const Keywords &keys) constPLMD::ActionWithValuevirtual
getOutputQuantity(const unsigned j) constPLMD::ActionWithValueinline
getOutputQuantity(const std::string &name) constPLMD::ActionWithValueinline
getPntrToComponent(int i)PLMD::ActionWithValueprotected
getPntrToComponent(const std::string &name)PLMD::ActionWithValueprotected
getPntrToValue()PLMD::ActionWithValueinlineprotected
getRestart() constPLMD::Actioninline
getRole() constPLMD::ActionForInterface
getStep() constPLMD::Action
getTime() constPLMD::Action
getTimeStep() constPLMD::Action
getUnitName() constPLMD::ActionToPutDataprivate
getUnits() constPLMD::Actionprotected
hasBeenSet() constPLMD::ActionForInterfaceinline
interfacePLMD::colvar::Energyprivate
isActive() constPLMD::Actioninline
isOptionOn(const std::string &s) constPLMD::Actioninline
keywordsPLMD::Action
l enum valuePLMD::ActionToPutDataprivate
labelPLMD::Actionprivate
linePLMD::Actionprivate
lockRequests()PLMD::Actioninlinevirtual
logPLMD::Action
m enum valuePLMD::ActionToPutDataprivate
multi_sim_commPLMD::Action
mydataPLMD::ActionToPutDataprivate
n enum valuePLMD::ActionToPutDataprivate
namePLMD::Actionprivate
never_activatePLMD::Actionprivate
noAnalyticalDerivatives(Keywords &keys)PLMD::ActionWithValuestatic
noderivPLMD::ActionWithValueprivate
noforcePLMD::ActionToPutDataprivate
numericalDerivativesPLMD::ActionWithValueprivate
onStep() const overridePLMD::ActionToPutDatainlinevirtual
operator=(const Action &a)=deletePLMD::Actionprivate
optionsPLMD::Actionprivate
parse(const std::string &key, T &t)PLMD::Action
parseFlag(const std::string &key, bool &t)PLMD::Action
parseNumbered(const std::string &key, const int no, T &t)PLMD::Action
parseNumberedVector(const std::string &key, const int no, std::vector< T > &t)PLMD::Action
parseVector(const std::string &key, std::vector< T > &t)PLMD::Action
plumedPLMD::Action
prepare()PLMD::Actionvirtual
q enum valuePLMD::ActionToPutDataprivate
readAtomsFromPDB(const PDB &)PLMD::Actioninlinevirtual
readBinary(std::istream &i) overridePLMD::ActionToPutDatavirtual
registerKeywords(Keywords &keys)PLMD::colvar::Energystatic
replica_indexPLMD::Actionprivate
rescaleForces(const double &alpha)PLMD::ActionToPutData
reset()PLMD::ActionForInterfaceinlinevirtual
resetablePLMD::ActionToPutDataprivate
resetForStepStart() overridePLMD::ActionToPutDatainlinevirtual
resetStoredTimestep()PLMD::Action
restartPLMD::Actionprivate
rolePLMD::ActionForInterfaceprotected
runFinalJobs()PLMD::Actioninlinevirtual
Set_comm(Communicator &comm) overridePLMD::ActionToPutDatainlinevirtual
setForcePointer(const std::string &name, const TypesafePtr &val) overridePLMD::ActionToPutDatavirtual
setGradientsIfNeeded() overridePLMD::ActionForInterfaceinlinevirtual
setNotPeriodic()PLMD::ActionWithValue
setOption(const std::string &s)PLMD::Actionvirtual
setPeriodic(const std::string &min, const std::string &max)PLMD::ActionWithValue
setStart(const std::string &name, const unsigned &sss) overridePLMD::ActionToPutDatavirtual
setStride(const std::string &name, const unsigned &sss) overridePLMD::ActionToPutDatavirtual
setUnit(const std::string &unitstr, const std::string &funitstr)PLMD::ActionToPutDataprotected
setupConstantValues(const bool &have_atoms)PLMD::Action
setValue(const double &d)PLMD::ActionWithValueinlineprotected
setValue(Value *, double)PLMD::ActionWithValue
setValuePointer(const std::string &name, const TypesafePtr &val) overridePLMD::ActionToPutDatavirtual
share() overridePLMD::ActionToPutDatainlinevirtual
shareAll() overridePLMD::ActionToPutDatainlinevirtual
t enum valuePLMD::ActionToPutDataprivate
timestepPLMD::Actionprivate
turnOnDerivatives()PLMD::ActionWithValuevirtual
unitPLMD::ActionToPutDataprivate
unlockRequests()PLMD::Actioninlinevirtual
update()PLMD::Actioninlinevirtual
update_fromPLMD::Actionprivate
update_untilPLMD::Actionprivate
updateUnits(DataPassingTools *passtools)PLMD::ActionToPutData
useCustomisableComponents(Keywords &keys)PLMD::ActionWithValuestatic
useNumericalDerivatives()PLMD::ActionWithValueinline
usingNaturalUnits() constPLMD::Actionprotected
valsToForcePLMD::ActionWithValueprivate
valuesPLMD::ActionWithValueprivate
wait() overridePLMD::colvar::Energyvirtual
warning(const std::string &msg)PLMD::Action
wasscaledPLMD::ActionForInterfaceprotected
wassetPLMD::ActionForInterfaceprotected
writeBinary(std::ostream &o) overridePLMD::ActionToPutDatavirtual
writeInGraph() constPLMD::Actionvirtual
~Action()PLMD::Actionvirtual
~ActionWithValue()PLMD::ActionWithValue
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