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PLMD::opes::ECVmultiThermalBaric Member List

This is the complete list of members for PLMD::opes::ECVmultiThermalBaric, including all inherited members.

Action(const ActionOptions &)PLMD::Actionexplicit
ActionWithArguments(const ActionOptions &)PLMD::ActionWithArgumentsexplicit
ActionWithValue(const ActionOptions &ao)PLMD::ActionWithValueexplicit
activate()PLMD::Actionvirtual
addComponent(const std::string &name)PLMD::ActionWithValue
addComponentWithDerivatives(const std::string &name)PLMD::ActionWithValue
addDependency(Action *)PLMD::Action
addForcesOnArguments(const std::vector< double > &forces)PLMD::ActionWithArguments
addValue()PLMD::ActionWithValue
addValueWithDerivatives()PLMD::ActionWithValue
apply() overridePLMD::opes::ExpansionCVsvirtual
argumentsPLMD::ActionWithArgumentsprivate
beforeUpdate()PLMD::Actioninlinevirtual
bringBackInPbc(int i, double d1) constPLMD::ActionWithArgumentsinline
calculate() overridePLMD::opes::ExpansionCVsvirtual
calculateECVs(const double *) overridePLMD::opes::ECVmultiThermalBaricvirtual
calculateFromPDB(const PDB &)PLMD::Action
calculateNumericalDerivatives(ActionWithValue *a=NULL) overridePLMD::ActionWithArgumentsvirtual
checkFieldsAllowed()PLMD::ActionWithValueinlinevirtual
checkNeedsGradients() constPLMD::Actioninlinevirtual
checkNumericalDerivatives() const overridePLMD::ActionWithValueinlinevirtual
checkRead()PLMD::Action
checkUpdate() constPLMD::Action
cite(const std::string &s)PLMD::Action
clearDependencies()PLMD::Action
clearDerivatives()PLMD::ActionWithValuevirtual
clearInputForces()PLMD::ActionWithValue
clearOptions()PLMD::Actionvirtual
coeff_PLMD::opes::ECVmultiThermalBaricprivate
commPLMD::Action
componentIsNotPeriodic(const std::string &name)PLMD::ActionWithValue
componentIsPeriodic(const std::string &name, const std::string &min, const std::string &max)PLMD::ActionWithValue
componentsAreNotOptional(Keywords &keys)PLMD::ActionWithValuestatic
copyOutput(const std::string &name) constPLMD::ActionWithValue
copyOutput(const unsigned &n) constPLMD::ActionWithValue
custom_lambdas_PLMD::opes::ECVmultiThermalBaricprivate
deactivate()PLMD::Actioninlinevirtual
Dependencies typedefPLMD::Action
derECVs_beta_PLMD::opes::ECVmultiThermalBaricprivate
derECVs_pres_PLMD::opes::ECVmultiThermalBaricprivate
difference(int, double, double) constPLMD::ActionWithArgumentsinline
doNotCalculateDerivatives() constPLMD::ActionWithValueinlinevirtual
ECVmultiThermalBaric(const ActionOptions &)PLMD::opes::ECVmultiThermalBaricexplicit
ECVs_beta_PLMD::opes::ECVmultiThermalBaricprivate
ECVs_pres_PLMD::opes::ECVmultiThermalBaricprivate
error(const std::string &msg) constPLMD::Action
estimateNumSteps(const double, const double, const std::vector< double > &, const std::string &) constPLMD::opes::ExpansionCVsprotected
exists(const std::string &name) constPLMD::ActionWithValue
exit(int c=0)PLMD::Action
expandArgKeywordInPDB(const PDB &pdb)PLMD::ActionWithArgumentsprotected
ExpansionCVs(const ActionOptions &)PLMD::opes::ExpansionCVsexplicit
fclose(FILE *fp)PLMD::Action
fflush()PLMD::Action
filesPLMD::Action
fopen(const char *path, const char *mode)PLMD::Action
geom_spacing_PLMD::opes::ECVmultiThermalBaricprivate
getArgument(const unsigned n) constPLMD::ActionWithArgumentsinline
getArguments() constPLMD::ActionWithArgumentsinlinevirtual
getComponent(const std::string &name) constPLMD::ActionWithValueprivate
getComponentsList() constPLMD::ActionWithValue
getComponentsVector() constPLMD::ActionWithValue
getCPT() constPLMD::Action
getDefaultString() constPLMD::Actioninline
getDependencies() constPLMD::Actioninline
getExchangeStep() constPLMD::Action
getIndex_k() const overridePLMD::opes::ECVmultiThermalBaricvirtual
getKbT() constPLMD::opes::ExpansionCVsinline
getKeyword(const std::string &key)PLMD::Action
getLabel() constPLMD::Actioninline
getLambdas() const overridePLMD::opes::ECVmultiThermalBaricvirtual
getName() constPLMD::Actioninline
getNumberOfArguments() constPLMD::ActionWithArgumentsinlinevirtual
getNumberOfComponents() constPLMD::ActionWithValueinline
getNumberOfDerivatives() overridePLMD::opes::ExpansionCVsinlinevirtual
getOutputQuantity(const unsigned j) constPLMD::ActionWithValueinline
getOutputQuantity(const std::string &name) constPLMD::ActionWithValueinline
getPntrToArgument(const unsigned n)PLMD::ActionWithArgumentsinline
getPntrToComponent(int i)PLMD::ActionWithValueprotected
getPntrToComponent(const std::string &name)PLMD::ActionWithValueprotected
getPntrToDerECVs(unsigned) overridePLMD::opes::ECVmultiThermalBaricvirtual
getPntrToECVs(unsigned) overridePLMD::opes::ECVmultiThermalBaricvirtual
getPntrToValue()PLMD::ActionWithValueprotected
getProjection(unsigned i, unsigned j) constPLMD::ActionWithArguments
getRestart() constPLMD::Actioninline
getStep() constPLMD::Action
getSteps(double, double, const unsigned, const std::string &, const bool, const double) constPLMD::opes::ExpansionCVsprotected
getTime() constPLMD::Action
getTimeStep() constPLMD::Action
getTotNumECVs() constPLMD::opes::ExpansionCVsinline
initECVs()PLMD::opes::ECVmultiThermalBaricprivate
initECVs_observ(const std::vector< double > &, const unsigned, const unsigned) overridePLMD::opes::ECVmultiThermalBaricvirtual
initECVs_restart(const std::vector< std::string > &) overridePLMD::opes::ECVmultiThermalBaricvirtual
interpretArgumentList(const std::vector< std::string > &c, std::vector< Value * > &arg)PLMD::ActionWithArguments
isActive() constPLMD::Actioninline
isOptionOn(const std::string &s) constPLMD::Actioninline
isReady_PLMD::opes::ExpansionCVsprotected
kB_temp_low_PLMD::opes::ECVmultiThermalBaricprivate
kbt_PLMD::opes::ExpansionCVsprotected
keywordsPLMD::Action
lockRequestArgumentsPLMD::ActionWithArgumentsprivate
lockRequests() overridePLMD::ActionWithArgumentsinlinevirtual
logPLMD::Action
multi_sim_commPLMD::Action
noAnalyticalDerivatives(Keywords &keys)PLMD::ActionWithValuestatic
noderivPLMD::ActionWithValueprivate
numericalDerivativesPLMD::ActionWithValueprivate
parse(const std::string &key, T &t)PLMD::Action
parseArgumentList(const std::string &key, std::vector< Value * > &args)PLMD::ActionWithArguments
parseArgumentList(const std::string &key, int i, std::vector< Value * > &args)PLMD::ActionWithArguments
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
pres0_PLMD::opes::ECVmultiThermalBaricprivate
pres_PLMD::opes::ECVmultiThermalBaricprivate
pres_low_PLMD::opes::ECVmultiThermalBaricprivate
readAtomsFromPDB(const PDB &)PLMD::Actioninlinevirtual
registerKeywords(Keywords &keys)PLMD::opes::ECVmultiThermalBaricstatic
requestArguments(const std::vector< Value * > &arg)PLMD::ActionWithArguments
requestExtraDependencies(const std::vector< Value * > &extra)PLMD::ActionWithArguments
runFinalJobs()PLMD::Actioninlinevirtual
setGradientsIfNeeded()PLMD::ActionWithValue
setNotPeriodic()PLMD::ActionWithValue
setOption(const std::string &s)PLMD::Actionvirtual
setPeriodic(const std::string &min, const std::string &max)PLMD::ActionWithValue
setValue(const double &d)PLMD::ActionWithValueinlineprotected
setValue(Value *, double)PLMD::ActionWithValue
todoAutomatic_beta_PLMD::opes::ECVmultiThermalBaricprivate
todoAutomatic_pres_PLMD::opes::ECVmultiThermalBaricprivate
totNumECVs_PLMD::opes::ExpansionCVsprotected
turnOnDerivatives()PLMD::ActionWithValuevirtual
unlockRequests() overridePLMD::ActionWithArgumentsinlinevirtual
update()PLMD::Actioninlinevirtual
useCustomisableComponents(Keywords &keys)PLMD::ActionWithValuestatic
useNumericalDerivatives()PLMD::ActionWithValueinline
valuesPLMD::ActionWithValueprivate
warning(const std::string &msg)PLMD::Action
~Action()PLMD::Actionvirtual
~ActionWithArguments()PLMD::ActionWithArgumentsinlinevirtual
~ActionWithValue()PLMD::ActionWithValue
~ExpansionCVs()PLMD::opes::ExpansionCVsinlinevirtual
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