PLMD::fisst::FISST Member List

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

Action(const ActionOptions &)PLMD::Actionexplicit
Action(const Action &a)=deletePLMD::Actionprivate
ActionPilot(const ActionOptions &)PLMD::ActionPilotexplicit
ActionWithArguments(const ActionOptions &)PLMD::ActionWithArgumentsexplicit
ActionWithValue(const ActionOptions &ao)PLMD::ActionWithValueexplicit
activate()PLMD::Actionvirtual
activePLMD::Actionprivate
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
afterPLMD::Actionprivate
apply() overridePLMD::bias::Biasvirtual
apply_bias()PLMD::fisst::FISSTprivate
argumentsPLMD::ActionWithArgumentsprivate
b_adaptive_PLMD::fisst::FISSTprivate
b_first_restart_sample_PLMD::fisst::FISSTprivate
b_freeze_PLMD::fisst::FISSTprivate
b_restart_PLMD::fisst::FISSTprivate
b_write_observable_PLMD::fisst::FISSTprivate
b_write_restart_PLMD::fisst::FISSTprivate
beforeUpdate()PLMD::Actioninlinevirtual
beta_PLMD::fisst::FISSTprivate
Bias(const ActionOptions &ao)PLMD::bias::Biasexplicit
bringBackInPbc(int i, double d1) constPLMD::ActionWithArgumentsinline
calculate()PLMD::fisst::FISSTvirtual
calculateFromPDB(const PDB &)PLMD::Action
PLMD::calculateNumericalDerivatives(ActionWithValue *a=NULL)PLMD::Actionvirtual
PLMD::ActionWithArguments::calculateNumericalDerivatives(ActionWithValue *a=NULL) overridePLMD::ActionWithArgumentsvirtual
center_PLMD::fisst::FISSTprivate
checkFieldsAllowed()PLMD::ActionWithValueinlinevirtual
checkNeedsGradients() constPLMD::Actioninlinevirtual
PLMD::checkNumericalDerivatives() constPLMD::Actioninlinevirtual
PLMD::ActionWithValue::checkNumericalDerivatives() const overridePLMD::ActionWithValueinlinevirtual
checkRead()PLMD::Action
checkUpdate() constPLMD::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
compute_observable_weight()PLMD::fisst::FISSTprivate
copyOutput(const std::string &name) constPLMD::ActionWithValue
copyOutput(const unsigned &n) constPLMD::ActionWithValue
current_avg_force_PLMD::fisst::FISSTprivate
deactivate()PLMD::Actioninlinevirtual
Dependencies typedefPLMD::Action
difference(int, double, double) constPLMD::ActionWithArgumentsinline
doCheckPointPLMD::Actionprivate
doNotCalculateDerivatives() constPLMD::ActionWithValueinlinevirtual
error(const std::string &msg) constPLMD::Action
exists(const std::string &name) constPLMD::ActionWithValue
exit(int c=0)PLMD::Action
expandArgKeywordInPDB(const PDB &pdb)PLMD::ActionWithArgumentsprotected
fclose(FILE *fp)PLMD::Action
fflush()PLMD::Action
filesPLMD::Action
FISST(const ActionOptions &)PLMD::fisst::FISSTexplicit
fmt_PLMD::fisst::FISSTprivate
fopen(const char *path, const char *mode)PLMD::Action
force_weight_PLMD::fisst::FISSTprivate
forces_PLMD::fisst::FISSTprivate
gauss_weight_PLMD::fisst::FISSTprivate
getArgument(const unsigned n) constPLMD::ActionWithArgumentsinline
getArguments() constPLMD::ActionWithArgumentsinlinevirtual
getComponent(const std::string &name) constPLMD::ActionWithValueprivate
getComponentsList() constPLMD::ActionWithValue
getComponentsVector() constPLMD::ActionWithValue
getCPT() constPLMD::Action
getDependencies() constPLMD::Actioninline
getDocumentation() constPLMD::Actionvirtual
getExchangeStep() constPLMD::Action
getKeyword(const std::string &key)PLMD::Action
getLabel() constPLMD::Actioninline
getName() constPLMD::Actioninline
getNumberOfArguments() constPLMD::ActionWithArgumentsinlinevirtual
getNumberOfComponents() constPLMD::ActionWithValueinline
getNumberOfDerivatives() overridePLMD::bias::Biasinlinevirtual
getOutputQuantity(const unsigned j) constPLMD::ActionWithValueinline
getOutputQuantity(const std::string &name) constPLMD::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) constPLMD::ActionWithArguments
getRestart() constPLMD::Actioninline
getStep() constPLMD::Action
getStride() constPLMD::ActionPilot
getTime() constPLMD::Action
getTimeStep() constPLMD::Action
in_restart_PLMD::fisst::FISSTprivate
in_restart_name_PLMD::fisst::FISSTprivate
initial_weight_dist_PLMD::fisst::FISSTprivate
initial_weight_rate_PLMD::fisst::FISSTprivate
interpretArgumentList(const std::vector< std::string > &c, std::vector< Value * > &arg)PLMD::ActionWithArguments
isActive() constPLMD::Actioninline
isOptionOn(const std::string &s) constPLMD::Actioninline
kbt_PLMD::fisst::FISSTprivate
keywordsPLMD::Action
labelPLMD::Actionprivate
linePLMD::Actionprivate
lockRequestArgumentsPLMD::ActionWithArgumentsprivate
PLMD::lockRequests()PLMD::Actioninlinevirtual
PLMD::ActionWithArguments::lockRequests() overridePLMD::ActionWithArgumentsinlinevirtual
logPLMD::Action
max_force_PLMD::fisst::FISSTprivate
min_force_PLMD::fisst::FISSTprivate
multi_sim_commPLMD::Action
n_interpolation_PLMD::fisst::FISSTprivate
n_samples_PLMD::fisst::FISSTprivate
namePLMD::Actionprivate
ncvs_PLMD::fisst::FISSTprivate
noAnalyticalDerivatives(Keywords &keys)PLMD::ActionWithValuestatic
noderivPLMD::ActionWithValueprivate
NormalizeForceWeights()PLMD::fisst::FISSTprivate
numericalDerivativesPLMD::ActionWithValueprivate
observable_freq_PLMD::fisst::FISSTprivate
observable_weight_PLMD::fisst::FISSTprivate
onStep() constPLMD::ActionPilotvirtual
operator=(const Action &a)=deletePLMD::Actionprivate
optionsPLMD::Actionprivate
out_observable_PLMD::fisst::FISSTprivate
out_observable_name_PLMD::fisst::FISSTprivate
out_restart_PLMD::fisst::FISSTprivate
out_restart_name_PLMD::fisst::FISSTprivate
outputForcesPLMD::bias::Biasprivate
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
partition_estimate_PLMD::fisst::FISSTprivate
period_PLMD::fisst::FISSTprivate
plumedPLMD::Action
prepare()PLMD::Actionvirtual
rand_PLMD::fisst::FISSTprivate
readAtomsFromPDB(const PDB &)PLMD::Actioninlinevirtual
readInRestart()PLMD::fisst::FISSTprivate
registerKeywords(Keywords &keys)PLMD::fisst::FISSTstatic
replica_indexPLMD::Actionprivate
requestArguments(const std::vector< Value * > &arg)PLMD::ActionWithArguments
requestExtraDependencies(const std::vector< Value * > &extra)PLMD::ActionWithArguments
reset_period_PLMD::fisst::FISSTprivate
restartPLMD::Actionprivate
runFinalJobs()PLMD::Actioninlinevirtual
setBias(double bias)PLMD::bias::Biasinlineprotected
setGradientsIfNeeded()PLMD::ActionWithValue
setNotPeriodic()PLMD::ActionWithValue
setOption(const std::string &s)PLMD::Actionvirtual
setOutputForce(int i, double f)PLMD::bias::Biasinlineprotected
setPeriodic(const std::string &min, const std::string &max)PLMD::ActionWithValue
setStride(const int &n)PLMD::ActionPilot
setupOutObservable()PLMD::fisst::FISSTprivate
setupOutRestart()PLMD::fisst::FISSTprivate
setValue(const double &d)PLMD::ActionWithValueinlineprotected
setValue(Value *, double)PLMD::ActionWithValue
stridePLMD::ActionPilotprivate
threshold_PLMD::fisst::FISSTprivate
turnOnDerivatives()PLMD::fisst::FISSTvirtual
PLMD::unlockRequests()PLMD::Actioninlinevirtual
PLMD::ActionWithArguments::unlockRequests() overridePLMD::ActionWithArgumentsinlinevirtual
update()PLMD::fisst::FISSTvirtual
update_bias()PLMD::fisst::FISSTprivate
update_fromPLMD::Actionprivate
update_statistics()PLMD::fisst::FISSTprivate
update_untilPLMD::Actionprivate
useCustomisableComponents(Keywords &keys)PLMD::ActionWithValuestatic
useNumericalDerivatives()PLMD::ActionWithValueinline
value_force2_PLMD::fisst::FISSTprivate
valueBiasPLMD::bias::Biasprivate
valuesPLMD::ActionWithValueprivate
warning(const std::string &msg)PLMD::Action
writeOutObservable()PLMD::fisst::FISSTprivate
writeOutRestart()PLMD::fisst::FISSTprivate
~Action()PLMD::Actionvirtual
~ActionWithArguments()PLMD::ActionWithArgumentsinlinevirtual
~ActionWithValue()PLMD::ActionWithValue
~FISST()PLMD::fisst::FISST