STORMM Source Documentation
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This is the complete list of members for stormm::mm::Thermostat, including all inherited members.
checkCompartments(const AtomGraphSynthesis *poly_ag) | stormm::mm::Thermostat | |
constrainGeometry() const | stormm::mm::Thermostat | |
decrementStep() | stormm::mm::Thermostat | |
dpData(HybridTargetLevel tier=HybridTargetLevel::HOST) const | stormm::mm::Thermostat | |
dpData(HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
getAndersenResetFrequency() const | stormm::mm::Thermostat | |
getAtomCount() const | stormm::mm::Thermostat | |
getAtomTarget(int atom_index=0) const | stormm::mm::Thermostat | |
getBathPartitions() const | stormm::mm::Thermostat | |
getCacheConfiguration() const | stormm::mm::Thermostat | |
getCachedRandomResult(int atom_index, int cache_row, HybridTargetLevel tier=HybridTargetLevel::HOST) const | stormm::mm::Thermostat | |
getFinalEvolutionStep() const | stormm::mm::Thermostat | |
getFinalTemperature(int atom_index=0) const | stormm::mm::Thermostat | |
getGeneratorState(int atom_index, HybridTargetLevel tier=HybridTargetLevel::HOST) const | stormm::mm::Thermostat | |
getInitialEvolutionStep() const | stormm::mm::Thermostat | |
getInitialTemperature(int atom_index=0) const | stormm::mm::Thermostat | |
getKind() const | stormm::mm::Thermostat | |
getLangevinCollisionFrequency() const | stormm::mm::Thermostat | |
getLangevinExplicitFactor() const | stormm::mm::Thermostat | |
getLangevinImplicitFactor() const | stormm::mm::Thermostat | |
getPartitionConstrainedDoF(int index=0) const | stormm::mm::Thermostat | |
getPartitionFreeDoF(int index=0) const | stormm::mm::Thermostat | |
getPartitionMap() const | stormm::mm::Thermostat | |
getPartitionTarget(int index=0) const | stormm::mm::Thermostat | |
getRandomCacheDepth() const | stormm::mm::Thermostat | |
getRandomSeed() const | stormm::mm::Thermostat | |
getRattleIterations() const | stormm::mm::Thermostat | |
getRattleTolerance() const | stormm::mm::Thermostat | |
getSelfPointer() const | stormm::mm::Thermostat | |
getStepNumber() const | stormm::mm::Thermostat | |
getTemperatureSpread(int step_number=0) const | stormm::mm::Thermostat | |
getTimeStep() const | stormm::mm::Thermostat | |
incrementStep() | stormm::mm::Thermostat | |
initializeRandomStates(int new_seed=default_thermostat_random_seed, int scrub_cycles=25, HybridTargetLevel tier=HybridTargetLevel::HOST, const GpuDetails &gpu=null_gpu) | stormm::mm::Thermostat | |
loadSynthesisForces() const | stormm::mm::Thermostat | |
operator=(const Thermostat &original)=default (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
operator=(Thermostat &&original)=default (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
refresh(size_t index_start, size_t index_end, int refresh_depth=0) | stormm::mm::Thermostat | |
setAndersenResetFrequency(int andersen_frequency_in) | stormm::mm::Thermostat | |
setAtomCount(int atom_count_in, int new_seed=-1, const GpuDetails &gpu=null_gpu) | stormm::mm::Thermostat | |
setCacheConfiguration(PrecisionModel cache_config_in, const GpuDetails &gpu=null_gpu) | stormm::mm::Thermostat | |
setEvolutionWindow(int init_step_in, int final_step_in) | stormm::mm::Thermostat | |
setGeometryConstraints(ApplyConstraints cnst_geometry_in) | stormm::mm::Thermostat | |
setLangevinCollisionFrequency(double langevin_frequency_in) | stormm::mm::Thermostat | |
setRandomCacheDepth(int depth_in, const GpuDetails &gpu=null_gpu) | stormm::mm::Thermostat | |
setRattleIterations(int rattle_iterations_in) | stormm::mm::Thermostat | |
setRattleTolerance(double rattle_tolerance_in) | stormm::mm::Thermostat | |
setSynthesisForceLoading(bool load_synthesis_forces_in=true) | stormm::mm::Thermostat | |
setTemperature(double initial_temperature_in, double final_temperature_in=-1.0) | stormm::mm::Thermostat | |
setTemperature(const std::vector< double > &initial_temperatures_in, const std::vector< double > &final_temperatures_in, const std::vector< int2 > &partitions_in) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
setTimeStep(double time_step_in) | stormm::mm::Thermostat | |
spData(HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
spData(HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
Thermostat(ThermostatKind kind_in=ThermostatKind::NONE, PrecisionModel cache_config_in=PrecisionModel::SINGLE, int random_seed_in=default_thermostat_random_seed, const GpuDetails &gpu=null_gpu) | stormm::mm::Thermostat | |
Thermostat(int atom_count_in, ThermostatKind kind_in, double temperature_in, PrecisionModel cache_config_in=PrecisionModel::SINGLE, int random_seed_in=default_thermostat_random_seed, const GpuDetails &gpu=null_gpu) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
Thermostat(int atom_count_in, ThermostatKind kind_in, double init_temperature_in, double final_temperature_in, int initial_evolution_step_in, int final_evolution_step_in, PrecisionModel cache_config_in=PrecisionModel::SINGLE, int random_seed_in=default_thermostat_random_seed, const GpuDetails &gpu=null_gpu) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
Thermostat(int atom_count_in, ThermostatKind kind_in, const std::vector< double > &initial_temperatures_in, const std::vector< double > &final_temperatures_in, const std::vector< int2 > &paritions_in, int initial_evolution_step_in=default_tstat_evo_window_start, int final_evolution_step_in=default_tstat_evo_window_end, PrecisionModel cache_config_in=PrecisionModel::SINGLE, int random_seed_in=default_thermostat_random_seed, const GpuDetails &gpu=null_gpu) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
Thermostat(const AtomGraph *ag, ThermostatKind kind_in, double initial_temperature_in, double final_temperature_in, int initial_evolution_step_in, int final_evolution_step_in, PrecisionModel cache_config_in=PrecisionModel::SINGLE, int random_seed_in=default_thermostat_random_seed, const GpuDetails &gpu=null_gpu) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
Thermostat(const AtomGraph &ag, ThermostatKind kind_in, double initial_temperature_in, double final_temperature_in, int initial_evolution_step_in, int final_evolution_step_in, PrecisionModel cache_config_in=PrecisionModel::SINGLE, int random_seed_in=default_thermostat_random_seed, const GpuDetails &gpu=null_gpu) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
Thermostat(const AtomGraph *ag, ThermostatKind kind_in, double temperature_in=default_simulation_temperature, PrecisionModel cache_config_in=PrecisionModel::SINGLE, int random_seed_in=default_thermostat_random_seed, const GpuDetails &gpu=null_gpu) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
Thermostat(const AtomGraph &ag, ThermostatKind kind_in, double temperature_in=default_simulation_temperature, PrecisionModel cache_config_in=PrecisionModel::SINGLE, int random_seed_in=default_thermostat_random_seed, const GpuDetails &gpu=null_gpu) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
Thermostat(const AtomGraph *ag, ThermostatKind kind_in, const std::vector< double > &initial_temperatures_in, const std::vector< double > &final_temperatures_in, const std::vector< int2 > &paritions_in, int initial_evolution_step_in=default_tstat_evo_window_start, int final_evolution_step_in=default_tstat_evo_window_end, PrecisionModel cache_config_in=PrecisionModel::SINGLE, int random_seed_in=default_thermostat_random_seed, const GpuDetails &gpu=null_gpu) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
Thermostat(const AtomGraph &ag, ThermostatKind kind_in, const std::vector< double > &initial_temperatures_in, const std::vector< double > &final_temperatures_in, const std::vector< int2 > &paritions_in, int initial_evolution_step_in=default_tstat_evo_window_start, int final_evolution_step_in=default_tstat_evo_window_end, PrecisionModel cache_config_in=PrecisionModel::SINGLE, int random_seed_in=default_thermostat_random_seed, const GpuDetails &gpu=null_gpu) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
Thermostat(const AtomGraphSynthesis *poly_ag, ThermostatKind kind_in, double initial_temperature_in, double final_temperature_in, int initial_evolution_step_in, int final_evolution_step_in, PrecisionModel cache_config_in=PrecisionModel::SINGLE, int random_seed_in=default_thermostat_random_seed, const GpuDetails &gpu=null_gpu) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
Thermostat(const AtomGraphSynthesis &poly_ag, ThermostatKind kind_in, double initial_temperature_in, double final_temperature_in, int initial_evolution_step_in, int final_evolution_step_in, PrecisionModel cache_config_in=PrecisionModel::SINGLE, int random_seed_in=default_thermostat_random_seed, const GpuDetails &gpu=null_gpu) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
Thermostat(const AtomGraphSynthesis *poly_ag, ThermostatKind kind_in, double temperature_in=default_simulation_temperature, PrecisionModel cache_config_in=PrecisionModel::SINGLE, int random_seed_in=default_thermostat_random_seed, const GpuDetails &gpu=null_gpu) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
Thermostat(const AtomGraphSynthesis &poly_ag, ThermostatKind kind_in, double temperature_in=default_simulation_temperature, PrecisionModel cache_config_in=PrecisionModel::SINGLE, int random_seed_in=default_thermostat_random_seed, const GpuDetails &gpu=null_gpu) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
Thermostat(const AtomGraphSynthesis *poly_ag, ThermostatKind kind_in, const std::vector< double > &initial_temperatures_in, const std::vector< double > &final_temperatures_in, const std::vector< int2 > &paritions_in, int initial_evolution_step_in=default_tstat_evo_window_start, int final_evolution_step_in=default_tstat_evo_window_end, PrecisionModel cache_config_in=PrecisionModel::SINGLE, int random_seed_in=default_thermostat_random_seed, const GpuDetails &gpu=null_gpu) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
Thermostat(const AtomGraphSynthesis &poly_ag, ThermostatKind kind_in, const std::vector< double > &initial_temperatures_in, const std::vector< double > &final_temperatures_in, const std::vector< int2 > &paritions_in, int initial_evolution_step_in=default_tstat_evo_window_start, int final_evolution_step_in=default_tstat_evo_window_end, PrecisionModel cache_config_in=PrecisionModel::SINGLE, int random_seed_in=default_thermostat_random_seed, const GpuDetails &gpu=null_gpu) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
Thermostat(const AtomGraphSynthesis *poly_ag, const DynamicsControls &dyncon, const SystemCache &sc, const std::vector< int > &sc_origins, const GpuDetails &gpu=null_gpu) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
Thermostat(const AtomGraphSynthesis &poly_ag, const DynamicsControls &dyncon, const SystemCache &sc, const std::vector< int > &sc_origins, const GpuDetails &gpu=null_gpu) (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
Thermostat(const Thermostat &original)=default | stormm::mm::Thermostat | |
Thermostat(Thermostat &&original)=default (defined in stormm::mm::Thermostat) | stormm::mm::Thermostat | |
validateEvolutionWindow() | stormm::mm::Thermostat | |
validateRandomCacheDepth() | stormm::mm::Thermostat | |
validateTemperature(double temperature_in) | stormm::mm::Thermostat |