applySnapShot(System &system) const | SnapShot | |
atom_forces_ (defined in SnapShot) | SnapShot | [protected] |
atom_positions_ (defined in SnapShot) | SnapShot | [protected] |
atom_velocities_ (defined in SnapShot) | SnapShot | [protected] |
clear() | SnapShot | [virtual] |
getAtomForces() const | SnapShot | |
getAtomForces(const System &system) | SnapShot | |
getAtomPositions() const | SnapShot | |
getAtomPositions(const System &system) | SnapShot | |
getAtomVelocities() const | SnapShot | |
getAtomVelocities(const System &system) | SnapShot | |
getIndex() const | SnapShot | |
getKineticEnergy() const | SnapShot | |
getNumberOfAtoms() const | SnapShot | |
getPotentialEnergy() const | SnapShot | |
index_ (defined in SnapShot) | SnapShot | [protected] |
isValid() const | SnapShot | |
kinetic_energy_ (defined in SnapShot) | SnapShot | [protected] |
number_of_atoms_ (defined in SnapShot) | SnapShot | [protected] |
operator=(const SnapShot &snapshot) | SnapShot | |
operator==(const SnapShot &snapshot) const | SnapShot | |
potential_energy_ (defined in SnapShot) | SnapShot | [protected] |
setAtomForces(const ::std::vector< Vector3 > &atom_forces) | SnapShot | |
setAtomForces(System &system) const | SnapShot | |
setAtomPositions(const ::std::vector< Vector3 > &atom_postions) | SnapShot | |
setAtomPositions(System &system) const | SnapShot | |
setAtomVelocities(const ::std::vector< Vector3 > &atom_velocities) | SnapShot | |
setAtomVelocitites(System &system) const | SnapShot | |
setIndex(Size index) | SnapShot | |
setKineticEnergy(DoubleReal kinetic_energy) | SnapShot | |
setNumberOfAtoms(Size number_of_atoms) | SnapShot | |
setPotentialEnergy(DoubleReal potential_energy) | SnapShot | |
SnapShot() | SnapShot | |
SnapShot(const SnapShot &snapshot) | SnapShot | |
takeSnapShot(const System &system) | SnapShot | |
~SnapShot() | SnapShot | [virtual] |