accumulateDerivative(const unsigned &ider, const double &df) | PLMD::vesselbase::ActionWithVessel | inlineprotected |
Action(const ActionOptions &) | PLMD::Action | |
ActionWithVessel(const ActionOptions &ao) | PLMD::vesselbase::ActionWithVessel | |
activate() | PLMD::Action | virtual |
addBridgingVessel(ActionWithVessel *tome) | PLMD::vesselbase::ActionWithVessel | protected |
addDependency(Action *) | PLMD::Action | |
addElementDerivative(const unsigned &, const double &) | PLMD::vesselbase::ActionWithVessel | inline |
addVessel(const std::string &name, const std::string &input, const int numlab=0, const std::string thislab="") | PLMD::vesselbase::ActionWithVessel | protected |
addVessel(Vessel *vv) | PLMD::vesselbase::ActionWithVessel | protected |
apply()=0 | PLMD::Action | pure virtual |
applyBridgeForces(const std::vector< double > &bb) | PLMD::vesselbase::ActionWithVessel | inlinevirtual |
bridgeVariable | PLMD::vesselbase::ActionWithVessel | protected |
BridgeVessel class | PLMD::vesselbase::ActionWithVessel | friend |
buffer | PLMD::vesselbase::ActionWithVessel | private |
calculate()=0 | PLMD::Action | pure virtual |
calculateAllVessels() | PLMD::vesselbase::ActionWithVessel | protected |
calculateFromPDB(const PDB &) | PLMD::Action | |
calculateNumericalDerivatives(ActionWithValue *a=NULL) | PLMD::Action | 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 | |
checkNeedsGradients() const | PLMD::Action | inlinevirtual |
checkNumericalDerivatives() const | PLMD::Action | inlinevirtual |
checkRead() | PLMD::Action | |
cite(const std::string &s) | PLMD::Action | |
clearAfterTask() | PLMD::vesselbase::ActionWithVessel | protected |
clearDependencies() | PLMD::Action | |
clearDerivativesAfterTask(const unsigned &) | PLMD::vesselbase::ActionWithVessel | virtual |
clearOptions() | PLMD::Action | virtual |
comm | PLMD::Action | |
contributorsAreUnlocked | PLMD::vesselbase::ActionWithVessel | protected |
current | PLMD::vesselbase::ActionWithVessel | protected |
current_buffer_start | PLMD::vesselbase::ActionWithVessel | private |
current_buffer_stride | PLMD::vesselbase::ActionWithVessel | private |
deactivate() | PLMD::Action | inlinevirtual |
deactivate_task() | PLMD::vesselbase::ActionWithVessel | virtual |
Dependencies typedef | PLMD::Action | |
derivatives | PLMD::vesselbase::ActionWithVessel | private |
doJobsRequiredBeforeTaskList() | PLMD::vesselbase::ActionWithVessel | virtual |
error(const std::string &msg) const | PLMD::Action | |
exit(int c=0) | PLMD::Action | |
fclose(FILE *fp) | PLMD::Action | |
fflush() | PLMD::Action | |
files | PLMD::Action | |
files_iterator typedef | PLMD::Action | |
finishComputations() | PLMD::vesselbase::ActionWithVessel | protected |
fopen(const char *path, const char *mode) | PLMD::Action | |
functions | PLMD::vesselbase::ActionWithVessel | private |
FunctionVessel class | PLMD::vesselbase::ActionWithVessel | friend |
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 |
getLabel() const | PLMD::Action | inline |
getName() const | PLMD::Action | inline |
getNLTolerance() const | PLMD::vesselbase::ActionWithVessel | inlineprotected |
getNumberOfDerivatives()=0 | PLMD::vesselbase::ActionWithVessel | pure virtual |
getNumberOfVessels() const | PLMD::vesselbase::ActionWithVessel | inlineprotected |
getPntrToVessel(const unsigned &i) | PLMD::vesselbase::ActionWithVessel | inlineprotected |
getStep() const | PLMD::Action | |
getTime() const | PLMD::Action | |
getTimeStep() const | PLMD::Action | |
getTolerance() const | PLMD::vesselbase::ActionWithVessel | inlineprotected |
getVessel(const std::string &name) | PLMD::vesselbase::ActionWithVessel | |
isActive() const | PLMD::Action | inline |
isOptionOn(const std::string &s) const | PLMD::Action | inline |
isPeriodic()=0 | PLMD::vesselbase::ActionWithVessel | pure virtual |
keywords | PLMD::Action | |
lockContributors() | PLMD::vesselbase::ActionWithVessel | inlinevirtual |
lockRequests() | PLMD::Action | inlinevirtual |
log | PLMD::Action | |
mergeDerivatives(const unsigned &ider, const double &df) | PLMD::vesselbase::ActionWithVessel | virtual |
multi_sim_comm | PLMD::Action | |
nl_tolerance | PLMD::vesselbase::ActionWithVessel | private |
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(const unsigned &j)=0 | PLMD::vesselbase::ActionWithVessel | pure virtual |
plumed | PLMD::Action | |
prepare() | PLMD::Action | virtual |
read | PLMD::vesselbase::ActionWithVessel | private |
readAtomsFromPDB(const PDB &) | PLMD::Action | inlinevirtual |
readVesselKeywords() | PLMD::vesselbase::ActionWithVessel | protected |
registerKeywords(Keywords &keys) | PLMD::vesselbase::ActionWithVessel | 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 |
serial | PLMD::vesselbase::ActionWithVessel | private |
setElementDerivative(const unsigned &, const double &) | PLMD::vesselbase::ActionWithVessel | inlineprotected |
setElementValue(const unsigned &, const double &) | PLMD::vesselbase::ActionWithVessel | inline |
setOption(const std::string &s) | PLMD::Action | virtual |
ShortcutVessel class | PLMD::vesselbase::ActionWithVessel | friend |
taskList | PLMD::vesselbase::ActionWithVessel | protected |
thisval | PLMD::vesselbase::ActionWithVessel | private |
thisval_wasset | PLMD::vesselbase::ActionWithVessel | private |
tmpforces | PLMD::vesselbase::ActionWithVessel | private |
tolerance | PLMD::vesselbase::ActionWithVessel | private |
unlockContributors() | PLMD::vesselbase::ActionWithVessel | inlinevirtual |
unlockRequests() | PLMD::Action | inlinevirtual |
update() | PLMD::Action | inlinevirtual |
Vessel class | PLMD::vesselbase::ActionWithVessel | friend |
warning(const std::string &msg) | PLMD::Action | |
weightHasDerivatives | PLMD::vesselbase::ActionWithVessel | protected |
~Action() | PLMD::Action | virtual |
~ActionWithVessel() | PLMD::vesselbase::ActionWithVessel | |