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PLMD::bias::MaxEnt Member List

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

accumForcesPLMD::bias::Biasprivate
Action(const ActionOptions &)PLMD::Actionexplicit
ActionPilot(const ActionOptions &)PLMD::ActionPilotexplicit
actionStridePLMD::ActionPilotprivate
PLMD::ActionWithArguments(const ActionOptions &)PLMD::ActionWithArgumentsexplicit
ActionWithValue(const ActionOptions &ao)PLMD::ActionWithValueexplicit
activate()PLMD::Actionvirtual
addComponent(const std::string &valname, const std::vector< std::size_t > &shape=std::vector< std::size_t >())PLMD::ActionWithValue
addComponentWithDerivatives(const std::string &valname, const std::vector< std::size_t > &shape=std::vector< std::size_t >())PLMD::ActionWithValuevirtual
addDependency(Action *)PLMD::Action
addForcesOnArguments(const unsigned &argstart, const std::vector< double > &forces, unsigned &ind)PLMD::ActionWithArguments
addValue(const std::vector< std::size_t > &shape=std::vector< std::size_t >())PLMD::ActionWithValue
addValueWithDerivatives(const std::vector< std::size_t > &shape=std::vector< std::size_t >())PLMD::ActionWithValuevirtual
alphaPLMD::bias::MaxEntprivate
apply() overridePLMD::bias::Biasvirtual
apply_weightsPLMD::bias::MaxEntprivate
argumentsPLMD::ActionWithArgumentsprivate
atPLMD::bias::MaxEntprivate
avg_counterPLMD::bias::MaxEntprivate
avglambdaPLMD::bias::MaxEntprivate
avglambda_restartPLMD::bias::MaxEntprivate
avgstepPLMD::bias::MaxEntprivate
avgxPLMD::bias::MaxEntprivate
beforeUpdate()PLMD::Actioninlinevirtual
BetaReweightBiasPLMD::bias::MaxEntprivate
Bias(const ActionOptions &ao)PLMD::bias::Biasexplicit
biasesPLMD::bias::MaxEntprivate
bringBackInPbc(int i, double d1) constPLMD::ActionWithArgumentsinline
calculate() overridePLMD::bias::MaxEntvirtual
calculateConstantValues(const bool &have_atoms)PLMD::ActionWithArgumentsvirtual
calculateFromPDB(const PDB &)PLMD::Action
calculateNumericalDerivatives(ActionWithValue *a=NULL) overridePLMD::ActionWithArgumentsvirtual
calculateOnUpdate()PLMD::ActionWithValuevirtual
castToActionAtomistic() noexceptPLMD::Actioninlinevirtual
castToActionForInterface() noexceptPLMD::Actioninlinevirtual
castToActionShortcut() noexceptPLMD::Actioninlinevirtual
castToActionToGetData() noexceptPLMD::Actioninlinevirtual
castToActionToPutData() noexceptPLMD::Actioninlinevirtual
castToActionWithArguments() noexcept finalPLMD::ActionWithArgumentsinlinevirtual
castToActionWithValue() noexcept finalPLMD::ActionWithValueinlinevirtual
castToActionWithVirtualAtom() noexceptPLMD::Actioninlinevirtual
castToDomainDecomposition() noexceptPLMD::Actioninlinevirtual
castToPbcAction() noexceptPLMD::Actioninlinevirtual
check_lambda_boundaries(const std::string &err_type, double &l)PLMD::bias::MaxEnt
checkFieldsAllowed()PLMD::ActionWithValueinlinevirtual
checkForDependency(Action *)PLMD::Action
checkForForces()PLMD::ActionWithValueprotected
checkNeedsGradients() constPLMD::Actioninlinevirtual
checkNumericalDerivatives() const overridePLMD::ActionWithValueinlinevirtual
checkRead()PLMD::Action
checkUpdate() constPLMD::Action
cite(const std::string &s)PLMD::Action
clearDependencies()PLMD::Action
clearDerivatives(const bool &force=false)PLMD::ActionWithValuevirtual
clearInputForces(const bool &force=false)PLMD::ActionWithValuevirtual
clearOptions()PLMD::Actionvirtual
commPLMD::Action
componentIsNotPeriodic(const std::string &valname)PLMD::ActionWithValue
componentIsPeriodic(const std::string &valname, const std::string &min, const std::string &max)PLMD::ActionWithValue
compute_error(const std::string &err_type, double l)PLMD::bias::MaxEnt
convert_lambda(const std::string &type, double lold)PLMD::bias::MaxEnt
copyOutput(const std::string &valname) constPLMD::ActionWithValue
copyOutput(const unsigned &n) constPLMD::ActionWithValue
deactivate()PLMD::Actioninlinevirtual
Dependencies typedefPLMD::Action
difference(int, double, double) constPLMD::ActionWithArgumentsinline
done_averagePLMD::bias::MaxEntprivate
doNotCalculateDerivatives() constPLMD::ActionWithValueinlinevirtual
error(const std::string &msg) constPLMD::Action
error_typePLMD::bias::MaxEntprivate
exists(const std::string &valname) constPLMD::ActionWithValue
exit(int c=0)PLMD::Action
expandArgKeywordInPDB(const PDB &pdb)PLMD::ActionWithArgumentsprotected
expected_epsPLMD::bias::MaxEntprivate
fclose(FILE *fp)PLMD::Action
fflush()PLMD::Action
filesPLMD::Action
firststepPLMD::ActionWithValueprivate
fmtPLMD::bias::MaxEntprivate
fopen(const char *path, const char *mode)PLMD::Action
forcesPLMD::bias::Biasprivate
forcesForApplyPLMD::ActionWithValueprivate
getArgument(const unsigned n) constPLMD::ActionWithArgumentsinline
getArguments() constPLMD::ActionWithArgumentsinlinevirtual
getComponent(const std::string &valname) constPLMD::ActionWithValueprivate
getComponentsList() constPLMD::ActionWithValue
getComponentsVector() constPLMD::ActionWithValue
getConstPntrToComponent(unsigned i) constPLMD::ActionWithValue
getCPT() constPLMD::Action
getDefaultString() constPLMD::Actioninline
getDependencies() constPLMD::Actioninline
getExchangeStep() constPLMD::Action
getForcesToApply() constPLMD::ActionWithValueinlineprotected
getKBoltzmann() constPLMD::Actionprotected
getkBT()PLMD::Action
getKeyword(const std::string &key)PLMD::Action
getLabel() constPLMD::Actioninline
getMatrixColumnTitles(std::vector< std::string > &argnames) constPLMD::ActionWithValuevirtual
getName() constPLMD::Actioninline
getNumberOfArguments() constPLMD::ActionWithArgumentsinlinevirtual
getNumberOfComponents() constPLMD::ActionWithValueinline
getNumberOfDerivatives() overridePLMD::bias::Biasinlinevirtual
getOutputComponentDescription(const std::string &cname, const Keywords &keys) constPLMD::ActionWithValuevirtual
getOutputQuantity(const unsigned j) constPLMD::ActionWithValueinline
getOutputQuantity(const std::string &valname) constPLMD::ActionWithValueinline
getPntrToArgument(const unsigned n) constPLMD::ActionWithArgumentsinline
getPntrToComponent(unsigned i)PLMD::ActionWithValueprotected
getPntrToComponent(const std::string &valname)PLMD::ActionWithValueprotected
getPntrToValue()PLMD::ActionWithValueinlineprotected
getProjection(unsigned i, unsigned j) constPLMD::ActionWithArguments
getRestart() constPLMD::Actioninline
getStep() constPLMD::Action
getStride() constPLMD::ActionPilot
getTime() constPLMD::Action
getTimeStep() constPLMD::Action
getUnits() constPLMD::Actionprotected
ifilePLMD::bias::MaxEntprivate
ifilesnamesPLMD::bias::MaxEntprivate
interpretArgumentList(const std::vector< std::string > &c, const ActionSet &as, Action *action, std::vector< Value * > &arg)PLMD::ActionWithArgumentsstatic
isActive() constPLMD::Actioninline
isFirstStepPLMD::bias::MaxEntprivate
isOptionOn(const std::string &s) constPLMD::Actioninline
kappaPLMD::bias::MaxEntprivate
keywordsPLMD::Action
lagmultfnamePLMD::bias::MaxEntprivate
lagmultOfile_PLMD::bias::MaxEntprivate
lambdaPLMD::bias::MaxEntprivate
learn_replicaPLMD::bias::MaxEntprivate
lockRequestArgumentsPLMD::ActionWithArgumentsprivate
lockRequests() overridePLMD::ActionWithArgumentsinlinevirtual
logPLMD::Action
MaxEnt(const ActionOptions &)PLMD::bias::MaxEntexplicit
multi_sim_commPLMD::Action
myrepPLMD::bias::MaxEntprivate
no_broadcastPLMD::bias::MaxEntprivate
noAnalyticalDerivatives(Keywords &keys)PLMD::ActionWithValuestatic
noderivPLMD::ActionWithValueprivate
nrepPLMD::bias::MaxEntprivate
numericalDerivativesPLMD::ActionWithValueprivate
oldlambdaPLMD::bias::MaxEntprivate
onStep() constPLMD::ActionPilotvirtual
outputForcesPLMD::bias::Biasprivate
pace_PLMD::bias::MaxEntprivate
parse(const std::string &key, T &t)PLMD::Action
parseArgumentList(const std::string &key, std::vector< Value * > &args)PLMD::ActionWithArguments
parseArgumentList(const std::string &key, int i, 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
printFirstStepPLMD::bias::MaxEntprivate
readAtomsFromPDB(const PDB &)PLMD::Actioninlinevirtual
ReadLagrangians(IFile &ifile)PLMD::bias::MaxEnt
registerKeywords(Keywords &keys)PLMD::bias::MaxEntstatic
requestArguments(const std::vector< Value * > &arg)PLMD::ActionWithArguments
requestExtraDependencies(const std::vector< Value * > &extra)PLMD::ActionWithArguments
resetStoredTimestep()PLMD::Action
reweightPLMD::bias::MaxEntprivate
runFinalJobs()PLMD::Actioninlinevirtual
setBias(double bias)PLMD::bias::Biasinlineprotected
setGradients(Value *myval, unsigned &start) constPLMD::ActionWithArguments
setGradientsIfNeeded()PLMD::ActionWithValuevirtual
setNotPeriodic()PLMD::ActionWithValue
setOption(const std::string &s)PLMD::Actionvirtual
setOutputForce(int i, double force)PLMD::bias::Biasinlineprotected
setPeriodic(const std::string &min, const std::string &max)PLMD::ActionWithValue
setStride(unsigned n)PLMD::ActionPilot
setupConstantValues(const bool &have_atoms)PLMD::Action
setValue(const double &d)PLMD::ActionWithValueinlineprotected
setValue(Value *, double)PLMD::ActionWithValue
sigmaPLMD::bias::MaxEntprivate
simtempPLMD::bias::MaxEntprivate
stride_PLMD::bias::MaxEntprivate
tauPLMD::bias::MaxEntprivate
tendPLMD::bias::MaxEntprivate
totalWorkPLMD::bias::MaxEntprivate
tstartPLMD::bias::MaxEntprivate
turnOnDerivatives()PLMD::ActionWithValuevirtual
typePLMD::bias::MaxEntprivate
unlockRequests() overridePLMD::ActionWithArgumentsinlinevirtual
update() overridePLMD::bias::MaxEntvirtual
update_lambda()PLMD::bias::MaxEnt
useCustomisableComponents(Keywords &keys)PLMD::ActionWithValuestatic
useNumericalDerivatives()PLMD::ActionWithValueinline
usingNaturalUnits() constPLMD::Actionprotected
valsToForcePLMD::ActionWithValueprivate
valueBiasPLMD::bias::Biasprivate
valueForce2PLMD::bias::MaxEntprivate
valuesPLMD::ActionWithValueprivate
valueWorkPLMD::bias::MaxEntprivate
warning(const std::string &msg)PLMD::Action
workPLMD::bias::MaxEntprivate
writeInGraph() constPLMD::Actionvirtual
WriteLagrangians(std::vector< double > &lagmult, OFile &file)PLMD::bias::MaxEnt
~Action()PLMD::Actionvirtual
~ActionWithArguments()PLMD::ActionWithArgumentsinlinevirtual
~ActionWithValue()PLMD::ActionWithValue