GlobalMasterColvars Class Reference

Inheritance diagram for GlobalMasterColvars:

Collaboration diagram for GlobalMasterColvars:

Public Member Functions
void	reset ()
void	calculate () override
void	requestTotalForcePublic (bool yesno=true)
AtomIDList &	modifyRequestedAtomsPublic ()
AtomIDList &	modifyForcedAtomsPublic ()
ForceList &	modifyAppliedForcesPublic ()
ResizeArray< AtomIDList > &	modifyRequestedGroupsPublic ()
ForceList &	modifyGroupForcesPublic ()
IntList &	modifyRequestedGridObjectsPublic ()
BigRealList &	modifyGridObjForcesPublic ()
AtomIDList::const_iterator	getAtomIdBeginPublic ()
AtomIDList::const_iterator	getAtomIdEndPublic ()
PositionList::const_iterator	getAtomPositionBeginPublic ()
PositionList::const_iterator	getGroupPositionBeginPublic ()
PositionList::const_iterator	getGroupPositionEndPublic ()
ForceList::const_iterator	getGroupTotalForceBeginPublic ()
ForceList::const_iterator	getGroupTotalForceEndPublic ()
IntList::const_iterator	getGridObjIndexBeginPublic ()
IntList::const_iterator	getGridObjIndexEndPublic ()
BigRealList::const_iterator	getGridObjValueBeginPublic ()
BigRealList::const_iterator	getGridObjValueEndPublic ()
AtomIDList::const_iterator	getForceIdBeginPublic ()
AtomIDList::const_iterator	getForceIdEndPublic ()
ForceList::const_iterator	getTotalForcePublic ()
void	addReductionEnergyPublic (int reductionTag, BigReal energy)
Lattice const *	get_lattice () const

Protected Attributes
std::unique_ptr< colvarproxy_namd >	proxy

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The documentation for this class was generated from the following file:

• GlobalMasterColvars.h