PLMD::manyrestraints::LWalls Member List

This is the complete list of members for PLMD::manyrestraints::LWalls, including all inherited members.

Action(const ActionOptions &)PLMD::Actionexplicit
Action(const Action &a)=deletePLMD::Actionprivate
actionIsBridgedPLMD::vesselbase::ActionWithVesselprivate
ActionPilot(const ActionOptions &)PLMD::ActionPilotexplicit
ActionWithInputVessel(const ActionOptions &)PLMD::vesselbase::ActionWithInputVesselexplicit
ActionWithValue(const ActionOptions &ao)PLMD::ActionWithValueexplicit
ActionWithVessel(const ActionOptions &ao)PLMD::vesselbase::ActionWithVesselexplicit
activate()PLMD::Actionvirtual
activePLMD::Actionprivate
addBridgeForces(const std::vector< double > &bb)PLMD::vesselbase::ActionWithInputVesselinlinevirtual
addBridgingVessel(ActionWithVessel *tome)PLMD::vesselbase::ActionWithVesselprotected
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::vesselbase::ActionWithInputVesselprotected
addTaskToList(const unsigned &taskCode)PLMD::vesselbase::ActionWithVesselprotected
addValue()PLMD::ActionWithValue
addValueWithDerivatives()PLMD::ActionWithValue
addVessel(const std::string &name, const std::string &input, const int numlab=0)PLMD::vesselbase::ActionWithVesselprotected
addVessel(std::unique_ptr< Vessel > vv)PLMD::vesselbase::ActionWithVesselprotected
afterPLMD::Actionprivate
apply() overridePLMD::manyrestraints::ManyRestraintsBasevirtual
applyBridgeForces(const std::vector< double > &bb) overridePLMD::manyrestraints::ManyRestraintsBaseinlinevirtual
argumentsPLMD::vesselbase::ActionWithInputVesselprivate
atPLMD::manyrestraints::LWallsprivate
avesPLMD::manyrestraints::ManyRestraintsBaseprivate
beforeUpdate()PLMD::Actioninlinevirtual
bridgeVariablePLMD::vesselbase::ActionWithVesselprotected
bufferPLMD::vesselbase::ActionWithVesselprivate
buildDataStashes(ActionWithVessel *actionThatUses)PLMD::vesselbase::ActionWithVessel
calcPotential(const double &val, double &df) const overridePLMD::manyrestraints::LWallsvirtual
calculate() overridePLMD::manyrestraints::ManyRestraintsBaseinlinevirtual
calculateAllVessels(const unsigned &taskCode, MultiValue &myvals, MultiValue &bvals, std::vector< double > &buffer, std::vector< unsigned > &der_list)PLMD::vesselbase::ActionWithVesselprotected
calculateFromPDB(const PDB &)PLMD::Action
PLMD::calculateNumericalDerivatives(ActionWithValue *a=NULL)PLMD::Actionvirtual
PLMD::vesselbase::ActionWithInputVessel::calculateNumericalDerivatives(ActionWithValue *a=NULL)PLMD::vesselbase::ActionWithInputVesselvirtual
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() overridePLMD::manyrestraints::ManyRestraintsBaseinlinevirtual
clearInputForces()PLMD::ActionWithValue
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
componentsAreNotOptional(Keywords &keys)PLMD::ActionWithValuestatic
contributorsAreUnlockedPLMD::vesselbase::ActionWithVesselprotected
copyOutput(const std::string &name) constPLMD::ActionWithValue
copyOutput(const unsigned &n) constPLMD::ActionWithValue
deactivate()PLMD::Actioninlinevirtual
deactivate_task(const unsigned &task_index)PLMD::manyrestraints::ManyRestraintsBaseinline
deactivateAllTasks()PLMD::vesselbase::ActionWithVesselprotected
Dependencies typedefPLMD::Action
der_listPLMD::vesselbase::ActionWithVesselprivate
derivativesAreRequired() constPLMD::vesselbase::ActionWithVesselinline
dertimePLMD::vesselbase::ActionWithVesselprotected
dertime_can_be_offPLMD::vesselbase::ActionWithVesselprivate
doCheckPointPLMD::Actionprivate
doJobsRequiredBeforeTaskList() overridePLMD::manyrestraints::ManyRestraintsBasevirtual
doNotCalculateDerivatives() constPLMD::ActionWithValueinlinevirtual
epsPLMD::manyrestraints::LWallsprivate
error(const std::string &msg) constPLMD::Action
exists(const std::string &name) constPLMD::ActionWithValue
exit(int c=0)PLMD::Action
expPLMD::manyrestraints::LWallsprivate
fclose(FILE *fp)PLMD::Action
fflush()PLMD::Action
filesPLMD::Action
finishComputations(const std::vector< double > &buffer)PLMD::vesselbase::ActionWithVesselvirtual
fopen(const char *path, const char *mode)PLMD::Action
fullTaskListPLMD::vesselbase::ActionWithVesselprivate
functionsPLMD::vesselbase::ActionWithVesselprivate
getActiveTask(const unsigned &ii) constPLMD::vesselbase::ActionWithVesselinline
getComponent(const std::string &name) constPLMD::ActionWithValueprivate
getComponentsList() constPLMD::ActionWithValue
getComponentsVector() constPLMD::ActionWithValue
getCPT() constPLMD::Action
getCurrentNumberOfActiveTasks() constPLMD::vesselbase::ActionWithVesselinline
getDependencies() constPLMD::Actioninline
getDocumentation() constPLMD::Actionvirtual
getExchangeStep() constPLMD::Action
getForcesFromVessels(std::vector< double > &forcesToApply)PLMD::vesselbase::ActionWithVesselprotected
getFullNumberOfTasks() constPLMD::vesselbase::ActionWithVesselinline
getKeyword(const std::string &key)PLMD::Action
getLabel() constPLMD::Actioninline
getName() constPLMD::Actioninline
getNLTolerance() constPLMD::vesselbase::ActionWithVesselinlineprotected
getNumberOfComponents() constPLMD::ActionWithValueinline
getNumberOfDerivatives() overridePLMD::manyrestraints::ManyRestraintsBaseinlinevirtual
getNumberOfQuantities() constPLMD::vesselbase::ActionWithVesselinlinevirtual
getNumberOfVessels() constPLMD::vesselbase::ActionWithVesselinline
getOutputQuantity(const unsigned j) constPLMD::ActionWithValueinline
getOutputQuantity(const std::string &name) constPLMD::ActionWithValueinline
getPntrToArgument()PLMD::vesselbase::ActionWithInputVesselinlineprotected
getPntrToComponent(int i)PLMD::ActionWithValueprotected
getPntrToComponent(const std::string &name)PLMD::ActionWithValueprotected
getPntrToValue()PLMD::ActionWithValueprotected
getPntrToVessel(const unsigned &i)PLMD::vesselbase::ActionWithVesselinline
getPositionInCurrentTaskList(const unsigned &myind) constPLMD::vesselbase::ActionWithVesselinline
getPositionInFullTaskList(const unsigned &ii) constPLMD::vesselbase::ActionWithVesselinline
getRestart() constPLMD::Actioninline
getSizeOfBuffer(unsigned &bufsize)PLMD::vesselbase::ActionWithVesselprotected
getStep() constPLMD::Action
getStride() constPLMD::ActionPilot
getTaskCode(const unsigned &ii) constPLMD::vesselbase::ActionWithVesselinline
getTime() constPLMD::Action
getTimeStep() constPLMD::Action
getTolerance() constPLMD::vesselbase::ActionWithVesselinlineprotected
getVesselWithName(const std::string &mynam)PLMD::vesselbase::ActionWithVessel
indexOfTaskInFullListPLMD::vesselbase::ActionWithVesselprivate
isActive() constPLMD::Actioninline
isOptionOn(const std::string &s) constPLMD::Actioninline
isPeriodic() overridePLMD::manyrestraints::ManyRestraintsBaseinlinevirtual
kappaPLMD::manyrestraints::LWallsprivate
keywordsPLMD::Action
labelPLMD::Actionprivate
linePLMD::Actionprivate
lockContributors()PLMD::vesselbase::ActionWithVessel
lockRequests()PLMD::Actioninlinevirtual
logPLMD::Action
lowmemPLMD::vesselbase::ActionWithVesselprivate
LWalls(const ActionOptions &)PLMD::manyrestraints::LWallsexplicit
ManyRestraintsBase(const ActionOptions &)PLMD::manyrestraints::ManyRestraintsBaseexplicit
maxderivativesPLMD::vesselbase::ActionWithVesselprivate
multi_sim_commPLMD::Action
myBridgeVesselPLMD::vesselbase::ActionWithInputVesselprivate
mydataPLMD::vesselbase::ActionWithVesselprotected
nactive_tasksPLMD::vesselbase::ActionWithVesselprivate
namePLMD::Actionprivate
needsDerivatives()PLMD::vesselbase::ActionWithVesselprotected
nl_tolerancePLMD::vesselbase::ActionWithVesselprivate
noAnalyticalDerivatives(Keywords &keys)PLMD::ActionWithValuestatic
PLMD::noderivPLMD::ActionWithValueprivate
normalizeVector(std::vector< double > &vals) constPLMD::vesselbase::ActionWithVesselinlinevirtual
normalizeVectorDerivatives(MultiValue &myvals) constPLMD::vesselbase::ActionWithVesselinlinevirtual
numericalDerivativesPLMD::ActionWithValueprivate
offsetPLMD::manyrestraints::LWallsprivate
onStep() constPLMD::ActionPilotvirtual
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
partialTaskListPLMD::vesselbase::ActionWithVesselprivate
performTask(const unsigned &, const unsigned &, MultiValue &) const overridePLMD::manyrestraints::ManyRestraintsBaseinlinevirtual
plumedPLMD::Action
prepare()PLMD::Actionvirtual
readArgument(const std::string &type)PLMD::vesselbase::ActionWithInputVesselprotected
readAtomsFromPDB(const PDB &)PLMD::Actioninlinevirtual
readVesselKeywords()PLMD::vesselbase::ActionWithVesselprotected
registerKeywords(Keywords &keys)PLMD::manyrestraints::LWallsstatic
replica_indexPLMD::Actionprivate
resizeFunctions()PLMD::vesselbase::ActionWithVesselprotected
restartPLMD::Actionprivate
retrieveDomain(std::string &min, std::string &max)PLMD::vesselbase::ActionWithVesselvirtual
runAllTasks()PLMD::vesselbase::ActionWithVesselprotected
runFinalJobs()PLMD::Actioninlinevirtual
serialPLMD::vesselbase::ActionWithVesselprivate
serialCalculation() constPLMD::vesselbase::ActionWithVesselinlineprotected
setGradientsIfNeeded()PLMD::ActionWithValue
setLowMemOption(const bool &)PLMD::vesselbase::ActionWithVesselinlineprotected
setNotPeriodic()PLMD::ActionWithValue
setOption(const std::string &s)PLMD::Actionvirtual
setPeriodic(const std::string &min, const std::string &max)PLMD::ActionWithValue
setStride(const int &n)PLMD::ActionPilot
setValue(const double &d)PLMD::ActionWithValueinlineprotected
setValue(Value *, double)PLMD::ActionWithValue
stopwatchPLMD::vesselbase::ActionWithVesselprivate
stopwatch_fwdPLMD::vesselbase::ActionWithVesselprivate
stridePLMD::ActionPilotprivate
taskFlagsPLMD::vesselbase::ActionWithVesselprotected
taskIsCurrentlyActive(const unsigned &index) constPLMD::vesselbase::ActionWithVessel
threadSafe() constPLMD::vesselbase::ActionWithVesselinlinevirtual
timersPLMD::vesselbase::ActionWithVesselprivate
tmpforcesPLMD::vesselbase::ActionWithVesselprivate
tolerancePLMD::vesselbase::ActionWithVesselprivate
transformBridgedDerivatives(const unsigned &current, MultiValue &invals, MultiValue &outvals) const overridePLMD::manyrestraints::ManyRestraintsBasevirtual
turnOnDerivatives()PLMD::ActionWithValuevirtual
unlockRequests()PLMD::Actioninlinevirtual
update()PLMD::Actioninlinevirtual
update_fromPLMD::Actionprivate
update_untilPLMD::Actionprivate
useCustomisableComponents(Keywords &keys)PLMD::ActionWithValuestatic
useNumericalDerivatives()PLMD::ActionWithValueinline
usingLowMem() constPLMD::vesselbase::ActionWithVesselinlineprotected
valuesPLMD::ActionWithValueprivate
warning(const std::string &msg)PLMD::Action
weightHasDerivativesPLMD::vesselbase::ActionWithVesselprotected
weightWithDerivatives() constPLMD::vesselbase::ActionWithVesselinline
~Action()PLMD::Actionvirtual
~ActionWithInputVessel()PLMD::vesselbase::ActionWithInputVesselinlinevirtual
~ActionWithValue()PLMD::ActionWithValue
~ActionWithVessel()PLMD::vesselbase::ActionWithVessel
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