accumulateDerivative(const unsigned &ider, const double &df) | PLMD::vesselbase::ActionWithVessel | inlineprotected |
Action(const ActionOptions &) | PLMD::Action | |
ActionPilot(const ActionOptions &) | PLMD::ActionPilot | |
ActionWithInputVessel(const ActionOptions &) | PLMD::vesselbase::ActionWithInputVessel | |
ActionWithValue(const ActionOptions &ao) | PLMD::ActionWithValue | |
ActionWithVessel(const ActionOptions &ao) | PLMD::vesselbase::ActionWithVessel | |
activate() | PLMD::Action | virtual |
activateIndexes(const unsigned &, const unsigned &, const std::vector< unsigned > &) | PLMD::vesselbase::ActionWithVessel | inlinevirtual |
activateTheseTasks(std::vector< bool > &addtionalTasks) | PLMD::vesselbase::ActionWithVessel | |
addBridgeForces(const std::vector< double > &bb) | PLMD::vesselbase::ActionWithInputVessel | inlinevirtual |
addBridgingVessel(ActionWithVessel *tome) | PLMD::vesselbase::ActionWithVessel | protected |
addComponent(const std::string &name) | PLMD::ActionWithValue | |
addComponentWithDerivatives(const std::string &name) | PLMD::ActionWithValue | |
addDependency(Action *) | PLMD::Action | |
addElementDerivative(const unsigned &, const double &) | PLMD::vesselbase::ActionWithVessel | inline |
addElementValue(const unsigned &, const double &) | PLMD::vesselbase::ActionWithVessel | inline |
addForcesOnArguments(const std::vector< double > &forces) | PLMD::vesselbase::ActionWithInputVessel | protected |
addTaskToList(const unsigned &taskCode) | PLMD::vesselbase::ActionWithVessel | protected |
addValue() | PLMD::ActionWithValue | |
addValueWithDerivatives() | PLMD::ActionWithValue | |
addVessel(const std::string &name, const std::string &input, const int numlab=0) | PLMD::vesselbase::ActionWithVessel | protected |
addVessel(Vessel *vv) | PLMD::vesselbase::ActionWithVessel | protected |
apply() | PLMD::manyrestraints::ManyRestraintsBase | virtual |
applyBridgeForces(const std::vector< double > &bb) | PLMD::manyrestraints::ManyRestraintsBase | inlinevirtual |
applyChainRuleForDerivatives(const double &df) | PLMD::manyrestraints::ManyRestraintsBase | protected |
at | PLMD::manyrestraints::UWalls | private |
bridgeVariable | PLMD::vesselbase::ActionWithVessel | protected |
buildDataStashes() | PLMD::vesselbase::ActionWithVessel | virtual |
calculate() | PLMD::manyrestraints::ManyRestraintsBase | inlinevirtual |
calculateAllVessels() | PLMD::vesselbase::ActionWithVessel | protected |
calculateFromPDB(const PDB &) | PLMD::Action | |
PLMD::calculateNumericalDerivatives(ActionWithValue *a=NULL) | PLMD::Action | virtual |
PLMD::vesselbase::ActionWithInputVessel::calculateNumericalDerivatives(ActionWithValue *a=NULL) | PLMD::vesselbase::ActionWithInputVessel | virtual |
chainRuleForElementDerivatives(const unsigned &, const unsigned &, const double &, Vessel *) | PLMD::vesselbase::ActionWithVessel | |
chainRuleForElementDerivatives(const unsigned &, const unsigned &, const unsigned &, const unsigned &, const double &, Vessel *) | PLMD::vesselbase::ActionWithVessel | |
checkFieldsAllowed() | PLMD::ActionWithValue | inlinevirtual |
checkNeedsGradients() const | PLMD::Action | inlinevirtual |
checkNumericalDerivatives() const | PLMD::ActionWithValue | inlinevirtual |
checkRead() | PLMD::Action | |
cite(const std::string &s) | PLMD::Action | |
clearAfterTask() | PLMD::vesselbase::ActionWithVessel | protected |
clearDependencies() | PLMD::Action | |
clearDerivatives() | PLMD::manyrestraints::ManyRestraintsBase | inlinevirtual |
clearDerivativesAfterTask(const unsigned &) | PLMD::vesselbase::ActionWithVessel | virtual |
clearInputForces() | PLMD::ActionWithValue | |
clearOptions() | PLMD::Action | virtual |
comm | PLMD::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::ActionWithValue | static |
contributorsAreUnlocked | PLMD::vesselbase::ActionWithVessel | protected |
copyOutput(const std::string &name) const | PLMD::ActionWithValue | |
copyOutput(const unsigned &n) const | PLMD::ActionWithValue | |
deactivate() | PLMD::Action | inlinevirtual |
deactivate_task() | PLMD::manyrestraints::ManyRestraintsBase | inlinevirtual |
deactivateAllTasks() | PLMD::vesselbase::ActionWithVessel | protected |
deactivateTasksInRange(const unsigned &lower, const unsigned &upper) | PLMD::vesselbase::ActionWithVessel | protected |
Dependencies typedef | PLMD::Action | |
derivativesAreRequired() const | PLMD::vesselbase::ActionWithVessel | inline |
doJobsRequiredBeforeTaskList() | PLMD::manyrestraints::ManyRestraintsBase | virtual |
doNotCalculateDerivatives() const | PLMD::ActionWithValue | inline |
eps | PLMD::manyrestraints::UWalls | private |
error(const std::string &msg) const | PLMD::Action | |
exists(const std::string &name) const | PLMD::ActionWithValue | |
exit(int c=0) | PLMD::Action | |
exp | PLMD::manyrestraints::UWalls | private |
fclose(FILE *fp) | PLMD::Action | |
fflush() | PLMD::Action | |
files | PLMD::Action | |
files_iterator typedef | PLMD::Action | |
finishComputations() | PLMD::vesselbase::ActionWithVessel | virtual |
finishTaskListUpdate() | PLMD::vesselbase::ActionWithVessel | inlinevirtual |
fopen(const char *path, const char *mode) | PLMD::Action | |
getActiveTask(const unsigned &ii) const | PLMD::vesselbase::ActionWithVessel | inlineprotected |
getComponentsList() const | PLMD::ActionWithValue | |
getComponentsVector() const | PLMD::ActionWithValue | |
getCurrentNumberOfActiveTasks() const | PLMD::vesselbase::ActionWithVessel | inlineprotected |
getCurrentPositionInTaskList() const | PLMD::vesselbase::ActionWithVessel | inlineprotected |
getCurrentTask() const | PLMD::vesselbase::ActionWithVessel | inlineprotected |
getDependencies() const | PLMD::Action | inline |
getDocumentation() const | PLMD::Action | virtual |
getElementDerivative(const unsigned &) const | PLMD::vesselbase::ActionWithVessel | inline |
getElementValue(const unsigned &ival) const | PLMD::vesselbase::ActionWithVessel | inline |
getExchangeStep() const | PLMD::Action | |
getForcesFromVessels(std::vector< double > &forcesToApply) | PLMD::vesselbase::ActionWithVessel | protected |
getFullNumberOfTasks() const | PLMD::vesselbase::ActionWithVessel | inline |
getIndexList(const unsigned &ntotal, const unsigned &jstore, const unsigned &maxder, std::vector< unsigned > &indices) | PLMD::vesselbase::ActionWithVessel | virtual |
getLabel() const | PLMD::Action | inline |
getName() const | PLMD::Action | inline |
getNLTolerance() const | PLMD::vesselbase::ActionWithVessel | inlineprotected |
getNumberOfComponents() const | PLMD::ActionWithValue | inline |
getNumberOfDerivatives() | PLMD::manyrestraints::ManyRestraintsBase | inlinevirtual |
getNumberOfQuantities() | PLMD::vesselbase::ActionWithVessel | inlinevirtual |
getNumberOfVessels() const | PLMD::vesselbase::ActionWithVessel | inlineprotected |
getOutputQuantity(const unsigned j) const | PLMD::ActionWithValue | inline |
getOutputQuantity(const std::string &name) const | PLMD::ActionWithValue | inline |
getPntrToArgument() | PLMD::vesselbase::ActionWithInputVessel | inlineprotected |
getPntrToComponent(int i) | PLMD::ActionWithValue | protected |
getPntrToComponent(const std::string &name) | PLMD::ActionWithValue | protected |
getPntrToValue() | PLMD::ActionWithValue | protected |
getPntrToVessel(const unsigned &i) | PLMD::vesselbase::ActionWithVessel | inlineprotected |
getPositionInFullTaskList(const unsigned &ii) const | PLMD::vesselbase::ActionWithVessel | inlineprotected |
getStep() const | PLMD::Action | |
getStride() const | PLMD::ActionPilot | protected |
getTime() const | PLMD::Action | |
getTimeStep() const | PLMD::Action | |
getTolerance() const | PLMD::vesselbase::ActionWithVessel | inlineprotected |
getValue() | PLMD::manyrestraints::ManyRestraintsBase | inlineprotected |
getVesselWithName(const std::string &mynam) | PLMD::vesselbase::ActionWithVessel | |
getWeight() | PLMD::manyrestraints::ManyRestraintsBase | inlineprotected |
isActive() const | PLMD::Action | inline |
isOptionOn(const std::string &s) const | PLMD::Action | inline |
isPeriodic() | PLMD::manyrestraints::ManyRestraintsBase | inlinevirtual |
kappa | PLMD::manyrestraints::UWalls | private |
keywords | PLMD::Action | |
lockContributors() | PLMD::vesselbase::ActionWithVessel | |
lockRequests() | PLMD::Action | inlinevirtual |
log | PLMD::Action | |
ManyRestraintsBase(const ActionOptions &) | PLMD::manyrestraints::ManyRestraintsBase | |
mergeDerivatives(const unsigned &ider, const double &df) | PLMD::vesselbase::ActionWithVessel | virtual |
multi_sim_comm | PLMD::Action | |
needsDerivatives() | PLMD::vesselbase::ActionWithVessel | protected |
noAnalyticalDerivatives(Keywords &keys) | PLMD::ActionWithValue | static |
offset | PLMD::manyrestraints::UWalls | private |
onStep() const | PLMD::ActionPilot | |
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 | |
performTask() | PLMD::manyrestraints::UWalls | virtual |
plumed | PLMD::Action | |
prepare() | PLMD::Action | virtual |
readArgument(const std::string &type) | PLMD::vesselbase::ActionWithInputVessel | protected |
readAtomsFromPDB(const PDB &) | PLMD::Action | inlinevirtual |
readVesselKeywords() | PLMD::vesselbase::ActionWithVessel | protected |
registerKeywords(Keywords &keys) | PLMD::manyrestraints::UWalls | static |
resizeFunctions() | PLMD::vesselbase::ActionWithVessel | protected |
retrieveDomain(std::string &min, std::string &max) | PLMD::vesselbase::ActionWithVessel | virtual |
runAllTasks() | PLMD::vesselbase::ActionWithVessel | protected |
runFinalJobs() | PLMD::Action | inlinevirtual |
serialCalculation() const | PLMD::vesselbase::ActionWithVessel | inlineprotected |
setElementDerivative(const unsigned &, const double &) | PLMD::vesselbase::ActionWithVessel | inline |
setElementValue(const unsigned &, const double &) | PLMD::vesselbase::ActionWithVessel | inline |
setGradientsIfNeeded() | PLMD::ActionWithValue | |
setLowMemOption(const bool &) | PLMD::vesselbase::ActionWithVessel | inlineprotected |
setMaximumNumberOfDerivatives(const unsigned &) | PLMD::vesselbase::ActionWithVessel | protected |
setNotPeriodic() | PLMD::ActionWithValue | |
setOption(const std::string &s) | PLMD::Action | virtual |
setPeriodic(const std::string &min, const std::string &max) | PLMD::ActionWithValue | |
setValue(const double &d) | PLMD::ActionWithValue | inlineprotected |
setValue(Value *, double) | PLMD::ActionWithValue | |
thisval_wasset | PLMD::vesselbase::ActionWithVessel | protected |
turnOnDerivatives() | PLMD::ActionWithValue | virtual |
unlockContributors() | PLMD::vesselbase::ActionWithVessel | |
unlockRequests() | PLMD::Action | inlinevirtual |
update() | PLMD::Action | inlinevirtual |
useCustomisableComponents(Keywords &keys) | PLMD::ActionWithValue | static |
useNumericalDerivatives() | PLMD::ActionWithValue | inline |
usingLowMem() const | PLMD::vesselbase::ActionWithVessel | inlineprotected |
UWalls(const ActionOptions &) | PLMD::manyrestraints::UWalls | |
warning(const std::string &msg) | PLMD::Action | |
weightHasDerivatives | PLMD::vesselbase::ActionWithVessel | protected |
~Action() | PLMD::Action | virtual |
~ActionWithInputVessel() | PLMD::vesselbase::ActionWithInputVessel | inlinevirtual |
~ActionWithValue() | PLMD::ActionWithValue | |
~ActionWithVessel() | PLMD::vesselbase::ActionWithVessel | |