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PLMD::bias::LWalls Member List

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

Action(const ActionOptions &)PLMD::Action
ActionPilot(const ActionOptions &)PLMD::ActionPilot
ActionWithArguments(const ActionOptions &)PLMD::ActionWithArguments
ActionWithValue(const ActionOptions &ao)PLMD::ActionWithValue
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()PLMD::bias::Biasvirtual
atPLMD::bias::LWallsprivate
Bias(const ActionOptions &ao)PLMD::bias::Bias
bringBackInPbc(int i, double d1) const PLMD::ActionWithArgumentsinline
calculate()PLMD::bias::LWallsvirtual
calculateFromPDB(const PDB &)PLMD::Action
PLMD::calculateNumericalDerivatives(ActionWithValue *a=NULL)PLMD::Actionvirtual
PLMD::ActionWithArguments::calculateNumericalDerivatives(ActionWithValue *a=NULL)PLMD::ActionWithArgumentsvirtual
checkFieldsAllowed()PLMD::ActionWithValueinlinevirtual
checkNeedsGradients() const PLMD::Actioninlinevirtual
PLMD::checkNumericalDerivatives() const PLMD::Actioninlinevirtual
PLMD::ActionWithValue::checkNumericalDerivatives() const PLMD::ActionWithValueinlinevirtual
checkRead()PLMD::Action
cite(const std::string &s)PLMD::Action
clearDependencies()PLMD::Action
clearDerivatives()PLMD::ActionWithValuevirtual
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
copyOutput(const std::string &name) const PLMD::ActionWithValue
copyOutput(const unsigned &n) const PLMD::ActionWithValue
deactivate()PLMD::Actioninlinevirtual
Dependencies typedefPLMD::Action
difference(int, double, double) const PLMD::ActionWithArgumentsinline
doNotCalculateDerivatives() const PLMD::ActionWithValueinline
epsPLMD::bias::LWallsprivate
error(const std::string &msg) const PLMD::Action
exists(const std::string &name) const PLMD::ActionWithValue
exit(int c=0)PLMD::Action
expPLMD::bias::LWallsprivate
expandArgKeywordInPDB(PDB &pdb)PLMD::ActionWithArgumentsprotected
fclose(FILE *fp)PLMD::Action
fflush()PLMD::Action
filesPLMD::Action
files_iterator typedefPLMD::Action
fopen(const char *path, const char *mode)PLMD::Action
getArgument(const unsigned n) const PLMD::ActionWithArgumentsinline
getArguments()PLMD::ActionWithArgumentsinline
getComponentsList() const PLMD::ActionWithValue
getComponentsVector() const PLMD::ActionWithValue
getDependencies() const PLMD::Actioninline
getDocumentation() const PLMD::Actionvirtual
getExchangeStep() const PLMD::Action
getLabel() const PLMD::Actioninline
getName() const PLMD::Actioninline
getNumberOfArguments() const PLMD::ActionWithArgumentsinline
getNumberOfComponents() const PLMD::ActionWithValueinline
getNumberOfDerivatives()PLMD::bias::Biasinlinevirtual
getOutputQuantity(const unsigned j) const PLMD::ActionWithValueinline
getOutputQuantity(const std::string &name) const PLMD::ActionWithValueinline
getPntrToArgument(const unsigned n)PLMD::ActionWithArgumentsinline
getPntrToComponent(int i)PLMD::ActionWithValueprotected
getPntrToComponent(const std::string &name)PLMD::ActionWithValueprotected
getPntrToValue()PLMD::ActionWithValueprotected
getProjection(unsigned i, unsigned j) const PLMD::ActionWithArguments
getStep() const PLMD::Action
getStride() const PLMD::ActionPilotprotected
getTime() const PLMD::Action
getTimeStep() const PLMD::Action
interpretArgumentList(const std::vector< std::string > &c, std::vector< Value * > &arg)PLMD::ActionWithArguments
isActive() const PLMD::Actioninline
isOptionOn(const std::string &s) const PLMD::Actioninline
kappaPLMD::bias::LWallsprivate
keywordsPLMD::Action
PLMD::lockRequests()PLMD::Actioninlinevirtual
PLMD::ActionWithArguments::lockRequests()PLMD::ActionWithArgumentsinlinevirtual
logPLMD::Action
LWalls(const ActionOptions &)PLMD::bias::LWalls
multi_sim_commPLMD::Action
noAnalyticalDerivatives(Keywords &keys)PLMD::ActionWithValuestatic
offsetPLMD::bias::LWallsprivate
onStep() const PLMD::ActionPilot
parse(const std::string &key, T &t)PLMD::Action
parseArgumentList(const std::string &key, 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
readAtomsFromPDB(const PDB &)PLMD::Actioninlinevirtual
registerKeywords(Keywords &keys)PLMD::bias::LWallsstatic
requestArguments(const std::vector< Value * > &arg)PLMD::ActionWithArguments
resetOutputForces()PLMD::bias::Biasinlineprotected
runFinalJobs()PLMD::Actioninlinevirtual
setGradientsIfNeeded()PLMD::ActionWithValue
setNotPeriodic()PLMD::ActionWithValue
setOption(const std::string &s)PLMD::Actionvirtual
setOutputForce(int i, double g)PLMD::bias::Biasinlineprotected
setPeriodic(const std::string &min, const std::string &max)PLMD::ActionWithValue
setValue(const double &d)PLMD::ActionWithValueinlineprotected
setValue(Value *, double)PLMD::ActionWithValue
turnOnDerivatives()PLMD::bias::Biasvirtual
PLMD::unlockRequests()PLMD::Actioninlinevirtual
PLMD::ActionWithArguments::unlockRequests()PLMD::ActionWithArgumentsinlinevirtual
update()PLMD::Actioninlinevirtual
useCustomisableComponents(Keywords &keys)PLMD::ActionWithValuestatic
useNumericalDerivatives()PLMD::ActionWithValueinline
warning(const std::string &msg)PLMD::Action
~Action()PLMD::Actionvirtual
~ActionWithArguments()PLMD::ActionWithArgumentsinlinevirtual
~ActionWithValue()PLMD::ActionWithValue