PLMD::ves::VesDeltaF Member List

This is the complete list of members for PLMD::ves::VesDeltaF, 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
afterCalculate_PLMD::ves::VesDeltaFprivate
alpha_size_PLMD::ves::VesDeltaFprivate
alphaOfile_PLMD::ves::VesDeltaFprivate
apply() overridePLMD::bias::Biasvirtual
argumentsPLMD::ActionWithArgumentsprivate
av_counter_PLMD::ves::VesDeltaFprivate
av_d2V_dAlpha2_PLMD::ves::VesDeltaFprivate
av_dV_dAlpha_PLMD::ves::VesDeltaFprivate
av_dV_dAlpha_prod_PLMD::ves::VesDeltaFprivate
av_stride_PLMD::ves::VesDeltaFprivate
beforeUpdate()PLMD::Actioninlinevirtual
beta_PLMD::ves::VesDeltaFprivate
Bias(const ActionOptions &ao)PLMD::bias::Biasexplicit
bringBackInPbc(int i, double d1) constPLMD::ActionWithArgumentsinline
calculate() overridePLMD::ves::VesDeltaFvirtual
calculateFromPDB(const PDB &)PLMD::Action
PLMD::calculateNumericalDerivatives(ActionWithValue *a=NULL)PLMD::Actionvirtual
PLMD::ActionWithArguments::calculateNumericalDerivatives(ActionWithValue *a=NULL) overridePLMD::ActionWithArgumentsvirtual
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
copyOutput(const std::string &name) constPLMD::ActionWithValue
copyOutput(const unsigned &n) constPLMD::ActionWithValue
damping_off_PLMD::ves::VesDeltaFprivate
deactivate()PLMD::Actioninlinevirtual
Dependencies typedefPLMD::Action
der_prob_PLMD::ves::VesDeltaFprivate
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
exp_alpha_PLMD::ves::VesDeltaFprivate
expandArgKeywordInPDB(const PDB &pdb)PLMD::ActionWithArgumentsprotected
fclose(FILE *fp)PLMD::Action
fflush()PLMD::Action
filesPLMD::Action
fopen(const char *path, const char *mode)PLMD::Action
get_index(const unsigned, const unsigned) constPLMD::ves::VesDeltaFinlineprivate
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
grid_p_PLMD::ves::VesDeltaFprivate
inst_alpha_PLMD::ves::VesDeltaFprivate
interpretArgumentList(const std::vector< std::string > &c, std::vector< Value * > &arg)PLMD::ActionWithArguments
inv_gamma_PLMD::ves::VesDeltaFprivate
isActive() constPLMD::Actioninline
isFirstStep_PLMD::ves::VesDeltaFprivate
isOptionOn(const std::string &s) constPLMD::Actioninline
keywordsPLMD::Action
labelPLMD::Actionprivate
linePLMD::Actionprivate
lockRequestArgumentsPLMD::ActionWithArgumentsprivate
PLMD::lockRequests()PLMD::Actioninlinevirtual
PLMD::ActionWithArguments::lockRequests() overridePLMD::ActionWithArgumentsinlinevirtual
logPLMD::Action
mean_alpha_PLMD::ves::VesDeltaFprivate
mean_counter_PLMD::ves::VesDeltaFprivate
mean_weight_tau_PLMD::ves::VesDeltaFprivate
minimization_step_PLMD::ves::VesDeltaFprivate
multi_sim_commPLMD::Action
namePLMD::Actionprivate
noAnalyticalDerivatives(Keywords &keys)PLMD::ActionWithValuestatic
noderivPLMD::ActionWithValueprivate
norm_PLMD::ves::VesDeltaFprivate
numericalDerivativesPLMD::ActionWithValueprivate
NumParallel_PLMD::ves::VesDeltaFprivate
NumWalkers_PLMD::ves::VesDeltaFprivate
onStep() constPLMD::ActionPilotvirtual
operator=(const Action &a)=deletePLMD::Actionprivate
optionsPLMD::Actionprivate
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
past_increment2_PLMD::ves::VesDeltaFprivate
plumedPLMD::Action
prepare()PLMD::Actionvirtual
prev_exp_alpha_PLMD::ves::VesDeltaFprivate
print_stride_PLMD::ves::VesDeltaFprivate
prob_PLMD::ves::VesDeltaFprivate
rank_PLMD::ves::VesDeltaFprivate
readAtomsFromPDB(const PDB &)PLMD::Actioninlinevirtual
registerKeywords(Keywords &keys)PLMD::ves::VesDeltaFstatic
replica_indexPLMD::Actionprivate
requestArguments(const std::vector< Value * > &arg)PLMD::ActionWithArguments
requestExtraDependencies(const std::vector< Value * > &extra)PLMD::ActionWithArguments
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
setValue(const double &d)PLMD::ActionWithValueinlineprotected
setValue(Value *, double)PLMD::ActionWithValue
stridePLMD::ActionPilotprivate
sym_alpha_size_PLMD::ves::VesDeltaFprivate
tg_counter_PLMD::ves::VesDeltaFprivate
tg_d2V_dAlpha2_PLMD::ves::VesDeltaFprivate
tg_dV_dAlpha_PLMD::ves::VesDeltaFprivate
tg_stride_PLMD::ves::VesDeltaFprivate
tot_prob_PLMD::ves::VesDeltaFprivate
turnOnDerivatives()PLMD::ActionWithValuevirtual
PLMD::unlockRequests()PLMD::Actioninlinevirtual
PLMD::ActionWithArguments::unlockRequests() overridePLMD::ActionWithArgumentsinlinevirtual
update() overridePLMD::ves::VesDeltaFvirtual
update_alpha()PLMD::ves::VesDeltaFprivate
update_fromPLMD::Actionprivate
update_tg_and_rct()PLMD::ves::VesDeltaFprivate
update_untilPLMD::Actionprivate
useCustomisableComponents(Keywords &keys)PLMD::ActionWithValuestatic
useNumericalDerivatives()PLMD::ActionWithValueinline
valueBiasPLMD::bias::Biasprivate
valuesPLMD::ActionWithValueprivate
VesDeltaF(const ActionOptions &)PLMD::ves::VesDeltaFexplicit
warning(const std::string &msg)PLMD::Action
work_PLMD::ves::VesDeltaFprivate
~Action()PLMD::Actionvirtual
~ActionWithArguments()PLMD::ActionWithArgumentsinlinevirtual
~ActionWithValue()PLMD::ActionWithValue