BALL  1.4.79
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BALL::MicroCanonicalMD Member List

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

abort_by_energy_enabled_BALL::MolecularDynamicsprotected
abort_energy_BALL::MolecularDynamicsprotected
atom_vector_BALL::MolecularDynamicsprotected
calculateFactors()BALL::MicroCanonicalMDprotected
current_temperature_BALL::MolecularDynamicsprotected
current_time_BALL::MolecularDynamicsprotected
enableEnergyAbortCondition(bool state)BALL::MolecularDynamics
energy_output_frequency_BALL::MolecularDynamicsprotected
energyAbortConditionEnabled() const BALL::MolecularDynamics
force_field_ptr_BALL::MolecularDynamicsprotected
getEnergyOutputFrequency() const BALL::MolecularDynamics
getEnergyToAbort() const BALL::MolecularDynamics
getForceField() const BALL::MolecularDynamics
getKineticEnergy() const BALL::MolecularDynamics
getMaximalNumberOfIterations() const BALL::MolecularDynamics
getMaximalSimulationTime() const BALL::MolecularDynamics
getNumberOfIterations() const BALL::MolecularDynamics
getPotentialEnergy() const BALL::MolecularDynamics
getSnapShotFrequency() const BALL::MolecularDynamics
getTemperature() const BALL::MolecularDynamics
getTime() const BALL::MolecularDynamics
getTimeStep() const BALL::MolecularDynamics
getTotalEnergy() const BALL::MolecularDynamics
isValid() const BALL::MolecularDynamics
kinetic_energy_BALL::MolecularDynamicsprotected
mass_factor_BALL::MicroCanonicalMDprotected
maximal_number_of_iterations_BALL::MolecularDynamicsprotected
MicroCanonicalMD()BALL::MicroCanonicalMD
MicroCanonicalMD(ForceField &myforcefield)BALL::MicroCanonicalMD
MicroCanonicalMD(ForceField &myforcefield, SnapShotManager *ssm)BALL::MicroCanonicalMD
MicroCanonicalMD(ForceField &myforcefield, SnapShotManager *ssm, const Options &myoptions)BALL::MicroCanonicalMD
MicroCanonicalMD(const MicroCanonicalMD &rhs)BALL::MicroCanonicalMD
MolecularDynamics()BALL::MolecularDynamics
MolecularDynamics(ForceField &force_field)BALL::MolecularDynamics
MolecularDynamics(const MolecularDynamics &rhs)BALL::MolecularDynamics
number_of_iteration_BALL::MolecularDynamicsprotected
operator=(const MicroCanonicalMD &rhs)BALL::MicroCanonicalMD
BALL::MolecularDynamics::operator=(const MolecularDynamics &rhs)BALL::MolecularDynamics
optionsBALL::MolecularDynamics
reference_temperature_BALL::MolecularDynamicsprotected
set(const MolecularDynamics &rhs)BALL::MolecularDynamics
setCurrentTime(double time)BALL::MolecularDynamics
setEnergyOutputFrequency(Size number)BALL::MolecularDynamics
setEnergyToAbort(float value)BALL::MolecularDynamics
setMaximalNumberOfIterations(Size number)BALL::MolecularDynamics
setMaximalSimulationTime(double time)BALL::MolecularDynamics
setNumberOfIteration(Size number)BALL::MolecularDynamics
setReferenceTemperature(double temperature)BALL::MolecularDynamics
setSnapShotFrequency(Size number)BALL::MolecularDynamics
setTimeStep(double step)BALL::MicroCanonicalMDvirtual
setup(ForceField &myforcefield, SnapShotManager *ssm)BALL::MicroCanonicalMDvirtual
setup(ForceField &myforcefield, SnapShotManager *ssm, const Options &myoptions)BALL::MicroCanonicalMDvirtual
simulate(bool restart=false)BALL::MolecularDynamics
simulateIterations(Size number, bool restart=false)BALL::MicroCanonicalMDvirtual
simulateTime(double simulation_time, bool restart=false)BALL::MolecularDynamics
snapshot_frequency_BALL::MolecularDynamicsprotected
snapshot_manager_ptr_BALL::MolecularDynamicsprotected
specificSetup()BALL::MicroCanonicalMDvirtual
system_ptr_BALL::MolecularDynamicsprotected
time_step_BALL::MolecularDynamicsprotected
total_energy_BALL::MolecularDynamicsprotected
updateInstantaneousTemperature()BALL::MolecularDynamicsprotected
valid_BALL::MolecularDynamicsprotected
~MicroCanonicalMD()BALL::MicroCanonicalMDvirtual
~MolecularDynamics()BALL::MolecularDynamicsvirtual