All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
PLMD::colvar::Coordination Member List

This is the complete list of members for PLMD::colvar::Coordination, including all inherited members.

Action(const ActionOptions &)PLMD::Action
ActionAtomistic(const ActionOptions &ao)PLMD::ActionAtomistic
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
addValue()PLMD::ActionWithValue
addValueWithDerivatives()PLMD::ActionWithValue
apply()PLMD::Colvarprotectedvirtual
applyForces()PLMD::ActionAtomistic
atomsPLMD::ActionAtomisticprotected
calculate()PLMD::colvar::CoordinationBasevirtual
calculateAtomicNumericalDerivatives(ActionWithValue *a, const unsigned &startnum)PLMD::ActionAtomistic
calculateFromPDB(const PDB &)PLMD::Action
calculateNumericalDerivatives(ActionWithValue *a=NULL)PLMD::ActionAtomisticvirtual
changeBox(const Tensor &newbox)PLMD::ActionAtomistic
checkFieldsAllowed()PLMD::ActionWithValueinlinevirtual
checkIsEnergy()PLMD::Colvarinline
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
clearOutputForces()PLMD::ActionAtomistic
Colvar(const ActionOptions &)PLMD::Colvar
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
Coordination(const ActionOptions &)PLMD::colvar::Coordination
CoordinationBase(const ActionOptions &)PLMD::colvar::CoordinationBase
copyOutput(const std::string &name) const PLMD::ActionWithValue
copyOutput(const unsigned &n) const PLMD::ActionWithValue
deactivate()PLMD::Actioninlinevirtual
Dependencies typedefPLMD::Action
doNotCalculateDerivatives() const PLMD::ActionWithValueinline
doNotForce()PLMD::ActionAtomisticinline
doNotRetrieve()PLMD::ActionAtomisticinline
error(const std::string &msg) const PLMD::Action
exists(const std::string &name) const PLMD::ActionWithValue
exit(int c=0)PLMD::Action
fclose(FILE *fp)PLMD::Action
fflush()PLMD::Action
filesPLMD::Action
files_iterator typedefPLMD::Action
fopen(const char *path, const char *mode)PLMD::Action
getAbsoluteIndex(int i) const PLMD::ActionAtomisticinline
getAbsoluteIndexes() const PLMD::ActionAtomisticinline
getBox() const PLMD::ActionAtomisticinline
getBoxDerivatives() const PLMD::Colvarprotected
getCharge(int i) const PLMD::ActionAtomisticinline
getComponentsList() const PLMD::ActionWithValue
getComponentsVector() const PLMD::ActionWithValue
getDependencies() const PLMD::Actioninline
getDocumentation() const PLMD::Actionvirtual
getEnergy() const PLMD::ActionAtomisticinline
getExchangeStep() const PLMD::Action
getForce() const PLMD::Colvarprotected
getLabel() const PLMD::Actioninline
getMass(int i) const PLMD::ActionAtomisticinline
getName() const PLMD::Actioninline
getNumberOfAtoms() const PLMD::ActionAtomisticinline
getNumberOfComponents() const PLMD::ActionWithValueinline
getNumberOfDerivatives()PLMD::Colvarinlinevirtual
getOutputQuantity(const unsigned j) const PLMD::ActionWithValueinline
getOutputQuantity(const std::string &name) const PLMD::ActionWithValueinline
getPbc() const PLMD::ActionAtomisticinline
getPntrToComponent(int i)PLMD::ActionWithValueprotected
getPntrToComponent(const std::string &name)PLMD::ActionWithValueprotected
getPntrToValue()PLMD::ActionWithValueprotected
getPosition(int) const PLMD::ActionAtomisticinline
getPosition(AtomNumber) const PLMD::ActionAtomisticinline
getPositions() const PLMD::ActionAtomisticinline
getStep() const PLMD::Action
getTime() const PLMD::Action
getTimeStep() const PLMD::Action
getTotAtoms() const PLMD::ActionAtomisticinline
getUnique() const PLMD::ActionAtomisticinline
isActive() const PLMD::Actioninline
isEnergyPLMD::Colvarprotected
isOptionOn(const std::string &s) const PLMD::Actioninline
keywordsPLMD::Action
lockRequests()PLMD::ActionAtomisticinlinevirtual
logPLMD::Action
modifyForceOnEnergy()PLMD::ActionAtomisticinline
modifyForces()PLMD::ActionAtomisticinline
modifyGlobalForce(AtomNumber)PLMD::ActionAtomisticinline
modifyGlobalVirial()PLMD::ActionAtomisticinline
modifyPosition(AtomNumber)PLMD::ActionAtomisticinline
modifyVirial()PLMD::ActionAtomisticinline
multi_sim_commPLMD::Action
noAnalyticalDerivatives(Keywords &keys)PLMD::ActionWithValuestatic
pairing(double distance, double &dfunc, unsigned i, unsigned j) const PLMD::colvar::Coordinationvirtual
parse(const std::string &key, T &t)PLMD::Action
parseAtomList(const std::string &key, std::vector< AtomNumber > &t)PLMD::ActionAtomistic
parseAtomList(const std::string &key, const int num, std::vector< AtomNumber > &t)PLMD::ActionAtomistic
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
pbcDistance(const Vector &, const Vector &) const PLMD::ActionAtomistic
plumedPLMD::Action
prepare()PLMD::colvar::CoordinationBasevirtual
readAtomsFromPDB(const PDB &pdb)PLMD::ActionAtomisticvirtual
registerKeywords(Keywords &keys)PLMD::colvar::Coordinationstatic
requestAtoms(const std::vector< AtomNumber > &a)PLMD::Colvarprotected
retrieveAtoms()PLMD::ActionAtomistic
runFinalJobs()PLMD::Actioninlinevirtual
setAtomsDerivatives(int, const Vector &)PLMD::Colvarinlineprotected
setAtomsDerivatives(Value *, int, const Vector &)PLMD::Colvarinlineprotected
setBoxDerivatives(const Tensor &)PLMD::Colvarinlineprotected
setBoxDerivatives(Value *, const Tensor &)PLMD::Colvarinlineprotected
setBoxDerivativesNoPbc()PLMD::Colvarinlineprotected
setBoxDerivativesNoPbc(Value *)PLMD::Colvarprotected
setForcesOnAtoms(const std::vector< double > &forcesToApply, unsigned ind=0)PLMD::ActionAtomistic
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
switchingFunctionPLMD::colvar::Coordinationprivate
turnOnDerivatives()PLMD::ActionWithValuevirtual
unlockRequests()PLMD::ActionAtomisticinlinevirtual
update()PLMD::Actioninlinevirtual
useCustomisableComponents(Keywords &keys)PLMD::ActionWithValuestatic
useNumericalDerivatives()PLMD::ActionWithValueinline
warning(const std::string &msg)PLMD::Action
~Action()PLMD::Actionvirtual
~ActionAtomistic()PLMD::ActionAtomistic
~ActionWithValue()PLMD::ActionWithValue
~Colvar()PLMD::Colvarinline
~CoordinationBase()PLMD::colvar::CoordinationBase