BALL  1.4.79
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BALL::CharmmFF Member List

This is the complete list of members for BALL::CharmmFF, including all inherited members.

atoms_BALL::ForceFieldprotected
CharmmFF()BALL::CharmmFF
CharmmFF(System &system)BALL::CharmmFF
CharmmFF(System &system, const Options &options)BALL::CharmmFF
CharmmFF(const CharmmFF &force_field)BALL::CharmmFF
clear()BALL::CharmmFFvirtual
collectAtoms_(const System &system)BALL::ForceFieldprotected
components_BALL::ForceFieldprotected
countComponents() const BALL::ForceField
disableSelection()BALL::ForceField
enableSelection()BALL::ForceField
energy_BALL::ForceFieldprotected
error()BALL::ForceField
filename_BALL::CharmmFFprotected
ForceField()BALL::ForceField
ForceField(System &system)BALL::ForceField
ForceField(System &system, const Options &options)BALL::ForceField
ForceField(const ForceField &force_field)BALL::ForceField
getAtoms() const BALL::ForceField
getBendEnergy() const BALL::CharmmFF
getComponent(const Size index) const BALL::ForceField
getComponent(const String &name) const BALL::ForceField
getEnergy() const BALL::ForceField
getESEnergy() const BALL::CharmmFF
getImproperTorsionEnergy() const BALL::CharmmFF
getMaximumNumberOfErrors() const BALL::ForceField
getName() const BALL::ForceField
getNonbondedEnergy() const BALL::CharmmFF
getNumberOfAtoms() const BALL::ForceField
getNumberOfMovableAtoms() const BALL::ForceField
getParameters()BALL::ForceField
getProperTorsionEnergy() const BALL::CharmmFF
getResults() const BALL::CharmmFFvirtual
getRMSGradient() const BALL::ForceField
getSetupTime() const BALL::ForceField
getSolvationEnergy() const BALL::CharmmFF
getStretchEnergy() const BALL::CharmmFF
getSystem()BALL::ForceField
getSystem() const BALL::ForceField
getTorsionEnergy() const BALL::CharmmFF
getUnassignedAtoms()BALL::ForceField
getUpdateFrequency() const BALL::ForceFieldvirtual
getUpdateTime() const BALL::ForceField
getUseSelection() const BALL::ForceField
getVdWEnergy() const BALL::CharmmFF
hasInitializedParameters() const BALL::CharmmFF
insertComponent(ForceFieldComponent *force_field_component)BALL::ForceField
isSelectionEnabled() const BALL::ForceField
isValid() const BALL::ForceField
max_number_of_errors_BALL::ForceFieldprotected
name_BALL::ForceFieldprotected
number_of_errors_BALL::ForceFieldprotected
number_of_movable_atoms_BALL::ForceFieldprotected
operator=(const CharmmFF &force_field)BALL::CharmmFF
BALL::ForceField::operator=(const ForceField &force_field)BALL::ForceField
optionsBALL::ForceField
PairVector typedefBALL::ForceField
parameters_BALL::ForceFieldprotected
parameters_initialized_BALL::CharmmFFprotected
performRequiredUpdates_()BALL::ForceFieldprotectedvirtual
periodic_boundaryBALL::ForceField
removeComponent(const ForceFieldComponent *force_field_component)BALL::ForceField
removeComponent(const String &name)BALL::ForceField
selection_enabled_BALL::ForceFieldprotected
setMaximumNumberOfErrors(Size nr)BALL::ForceField
setName(const String &name)BALL::ForceField
setup(System &system)BALL::ForceField
setup(System &system, const Options &options)BALL::ForceField
setup_time_stamp_BALL::ForceFieldprotected
sortSelectedAtomVector_()BALL::ForceFieldprotected
specificSetup()BALL::CharmmFFvirtual
system_BALL::ForceFieldprotected
unassigned_atoms_BALL::ForceFieldprotected
update()BALL::ForceFieldvirtual
update_time_stamp_BALL::ForceFieldprotected
updateEnergy()BALL::ForceField
updateForces()BALL::ForceField
use_selection_BALL::ForceFieldprotected
valid_BALL::ForceFieldprotected
~CharmmFF()BALL::CharmmFFvirtual
~ForceField()BALL::ForceFieldvirtual