STORMM Source Documentation
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stormm::mm::Thermostat Member List

This is the complete list of members for stormm::mm::Thermostat, including all inherited members.

checkCompartments(const AtomGraphSynthesis *poly_ag)stormm::mm::Thermostat
constrainGeometry() conststormm::mm::Thermostat
decrementStep()stormm::mm::Thermostat
dpData(HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::mm::Thermostat
dpData(HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::mm::Thermostat)stormm::mm::Thermostat
getAndersenResetFrequency() conststormm::mm::Thermostat
getAtomCount() conststormm::mm::Thermostat
getAtomTarget(int atom_index=0) conststormm::mm::Thermostat
getBathPartitions() conststormm::mm::Thermostat
getCacheConfiguration() conststormm::mm::Thermostat
getCachedRandomResult(int atom_index, int cache_row, HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::mm::Thermostat
getFinalEvolutionStep() conststormm::mm::Thermostat
getFinalTemperature(int atom_index=0) conststormm::mm::Thermostat
getGeneratorState(int atom_index, HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::mm::Thermostat
getInitialEvolutionStep() conststormm::mm::Thermostat
getInitialTemperature(int atom_index=0) conststormm::mm::Thermostat
getKind() conststormm::mm::Thermostat
getLangevinCollisionFrequency() conststormm::mm::Thermostat
getLangevinExplicitFactor() conststormm::mm::Thermostat
getLangevinImplicitFactor() conststormm::mm::Thermostat
getPartitionConstrainedDoF(int index=0) conststormm::mm::Thermostat
getPartitionFreeDoF(int index=0) conststormm::mm::Thermostat
getPartitionMap() conststormm::mm::Thermostat
getPartitionTarget(int index=0) conststormm::mm::Thermostat
getRandomCacheDepth() conststormm::mm::Thermostat
getRandomSeed() conststormm::mm::Thermostat
getRattleIterations() conststormm::mm::Thermostat
getRattleTolerance() conststormm::mm::Thermostat
getSelfPointer() conststormm::mm::Thermostat
getStepNumber() conststormm::mm::Thermostat
getTemperatureSpread(int step_number=0) conststormm::mm::Thermostat
getTimeStep() conststormm::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() conststormm::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)=defaultstormm::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