PLMD::ActionAtomistic Member List

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

Action(const ActionOptions &)PLMD::Actionexplicit
ActionAtomistic(const ActionOptions &ao)PLMD::ActionAtomisticexplicit
activate()PLMD::Actionvirtual
addDependency(Action *)PLMD::Action
allowToAccessGlobalForces()PLMD::ActionAtomisticinline
apply()=0PLMD::Actionpure virtual
applyForces()PLMD::ActionAtomistic
atomsPLMD::ActionAtomisticprotected
calculate()=0PLMD::Actionpure virtual
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
chargesPLMD::ActionAtomisticprivate
chargesWereSetPLMD::ActionAtomisticprivate
checkNeedsGradients() const PLMD::Actioninlinevirtual
checkNumericalDerivatives() const PLMD::Actioninlinevirtual
checkRead()PLMD::Action
checkUpdate() const PLMD::Action
cite(const std::string &s)PLMD::Action
clearDependencies()PLMD::Action
clearOptions()PLMD::Actionvirtual
clearOutputForces()PLMD::ActionAtomistic
commPLMD::Action
deactivate()PLMD::Actioninlinevirtual
Dependencies typedefPLMD::Action
doNotForce()PLMD::ActionAtomisticinline
donotforcePLMD::ActionAtomisticprivate
doNotRetrieve()PLMD::ActionAtomisticinline
donotretrievePLMD::ActionAtomisticprivate
energyPLMD::ActionAtomisticprivate
error(const std::string &msg) const PLMD::Action
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
forceOnEnergyPLMD::ActionAtomisticprivate
forcesPLMD::ActionAtomisticprivate
getAbsoluteIndex(int i) const PLMD::ActionAtomisticinline
getAbsoluteIndexes() const PLMD::ActionAtomisticinline
getBox() const PLMD::ActionAtomisticinline
getCharge(int i) const PLMD::ActionAtomisticinline
getDependencies() const PLMD::Actioninline
getDocumentation() const PLMD::Actionvirtual
getEnergy() const PLMD::ActionAtomisticinline
getExchangeStep() const PLMD::Action
getLabel() const PLMD::Actioninline
getMass(int i) const PLMD::ActionAtomisticinline
getName() const PLMD::Actioninline
getNumberOfAtoms() const PLMD::ActionAtomisticinline
getPbc() const PLMD::ActionAtomisticinline
getPosition(int) const PLMD::ActionAtomisticinline
getPosition(AtomNumber) const PLMD::ActionAtomisticinline
getPositions() const PLMD::ActionAtomisticinline
getRestart() const PLMD::Actioninline
getStep() const PLMD::Action
getTime() const PLMD::Action
getTimeStep() const PLMD::Action
getTotAtoms() const PLMD::ActionAtomisticinline
getUnique() const PLMD::ActionAtomisticinline
indexesPLMD::ActionAtomisticprivate
isActive() const PLMD::Actioninline
isOptionOn(const std::string &s) const PLMD::Actioninline
keywordsPLMD::Action
lockRequestAtomsPLMD::ActionAtomisticprivate
lockRequests()PLMD::ActionAtomisticinlinevirtual
logPLMD::Action
makeWhole()PLMD::ActionAtomistic
massesPLMD::ActionAtomisticprivate
modifyForceOnEnergy()PLMD::ActionAtomisticinline
modifyForces()PLMD::ActionAtomisticinline
modifyGlobalForce(AtomNumber)PLMD::ActionAtomisticinline
modifyGlobalVirial()PLMD::ActionAtomisticinline
modifyPosition(AtomNumber)PLMD::ActionAtomisticinline
modifyVirial()PLMD::ActionAtomisticinline
multi_sim_commPLMD::Action
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
pbcPLMD::ActionAtomisticprivate
pbcApply(std::vector< Vector > &dlist, unsigned max_index=0) const PLMD::ActionAtomistic
pbcDistance(const Vector &, const Vector &) const PLMD::ActionAtomistic
plumedPLMD::Action
positionsPLMD::ActionAtomisticprivate
prepare()PLMD::Actionvirtual
readAtomsFromPDB(const PDB &pdb)PLMD::ActionAtomisticvirtual
registerKeywords(Keywords &keys)PLMD::ActionAtomisticstatic
requestAtoms(const std::vector< AtomNumber > &a)PLMD::ActionAtomistic
retrieveAtoms()PLMD::ActionAtomistic
runFinalJobs()PLMD::Actioninlinevirtual
setForcesOnAtoms(const std::vector< double > &forcesToApply, unsigned ind=0)PLMD::ActionAtomistic
setOption(const std::string &s)PLMD::Actionvirtual
uniquePLMD::ActionAtomisticprivate
unlockRequests()PLMD::ActionAtomisticinlinevirtual
update()PLMD::Actioninlinevirtual
virialPLMD::ActionAtomisticprivate
warning(const std::string &msg)PLMD::Action
~Action()PLMD::Actionvirtual
~ActionAtomistic()PLMD::ActionAtomistic
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