BALL::CharmmFF Member List

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

atoms_ (defined in BALL::ForceField)	BALL::ForceField	[protected]
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::CharmmFF	[virtual]
collectAtoms_(const System &system) (defined in BALL::ForceField)	BALL::ForceField	[protected]
components_ (defined in BALL::ForceField)	BALL::ForceField	[protected]
countComponents() const	BALL::ForceField
disableSelection()	BALL::ForceField
enableSelection()	BALL::ForceField
energy_ (defined in BALL::ForceField)	BALL::ForceField	[protected]
error() (defined in BALL::ForceField)	BALL::ForceField
filename_ (defined in BALL::CharmmFF)	BALL::CharmmFF	[protected]
ForceField()	BALL::ForceField
ForceField(System &system)	BALL::ForceField
ForceField(System &system, const Options &options)	BALL::ForceField
ForceField(const ForceField &force_field)	BALL::ForceField
ForceFieldComponent (defined in BALL::ForceField)	BALL::ForceField	[friend]
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::CharmmFF	[virtual]
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::ForceField	[virtual]
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_ (defined in BALL::ForceField)	BALL::ForceField	[protected]
name_ (defined in BALL::ForceField)	BALL::ForceField	[protected]
number_of_errors_ (defined in BALL::ForceField)	BALL::ForceField	[protected]
number_of_movable_atoms_ (defined in BALL::ForceField)	BALL::ForceField	[protected]
operator=(const CharmmFF &force_field)	BALL::CharmmFF
BALL::ForceField::operator=(const ForceField &force_field)	BALL::ForceField
options	BALL::ForceField
PairVector typedef	BALL::ForceField
parameters_ (defined in BALL::ForceField)	BALL::ForceField	[protected]
parameters_initialized_ (defined in BALL::CharmmFF)	BALL::CharmmFF	[protected]
periodic_boundary	BALL::ForceField
removeComponent(const ForceFieldComponent *force_field_component)	BALL::ForceField
removeComponent(const String &name)	BALL::ForceField
selection_enabled_ (defined in BALL::ForceField)	BALL::ForceField	[protected]
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_ (defined in BALL::ForceField)	BALL::ForceField	[protected]
sortSelectedAtomVector_() (defined in BALL::ForceField)	BALL::ForceField	[protected]
specificSetup()	BALL::CharmmFF	[virtual]
system_ (defined in BALL::ForceField)	BALL::ForceField	[protected]
unassigned_atoms_ (defined in BALL::ForceField)	BALL::ForceField	[protected]
update()	BALL::ForceField	[virtual]
update_time_stamp_ (defined in BALL::ForceField)	BALL::ForceField	[protected]
updateEnergy()	BALL::ForceField
updateForces()	BALL::ForceField
use_selection_ (defined in BALL::ForceField)	BALL::ForceField	[protected]
valid_ (defined in BALL::ForceField)	BALL::ForceField	[protected]
~CharmmFF()	BALL::CharmmFF	[virtual]
~ForceField()	BALL::ForceField	[virtual]