STORMM Source Documentation
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stormm::energy::AtomGraphSynthesis Member List

This is the complete list of members for stormm::energy::AtomGraphSynthesis, including all inherited members.

AtomGraphSynthesis(const std::vector< AtomGraph * > &topologies_in, const std::vector< RestraintApparatus * > &restraints_in, const std::vector< int > &topology_indices_in, const std::vector< int > &restraint_indices_in, ExceptionResponse policy_in=ExceptionResponse::WARN, const GpuDetails &gpu=null_gpu, StopWatch *timer_in=nullptr)stormm::energy::AtomGraphSynthesis
AtomGraphSynthesis(const std::vector< AtomGraph * > &topologies_in, const std::vector< RestraintApparatus * > &restraints_in, ExceptionResponse policy_in=ExceptionResponse::WARN, const GpuDetails &gpu=null_gpu, StopWatch *timer_in=nullptr) (defined in stormm::energy::AtomGraphSynthesis)stormm::energy::AtomGraphSynthesis
AtomGraphSynthesis(const std::vector< AtomGraph * > &topologies_in, const std::vector< int > &topology_indices_in, ExceptionResponse policy_in=ExceptionResponse::WARN, const GpuDetails &gpu=null_gpu, StopWatch *timer_in=nullptr) (defined in stormm::energy::AtomGraphSynthesis)stormm::energy::AtomGraphSynthesis
AtomGraphSynthesis(const std::vector< AtomGraph * > &topologies_in, ExceptionResponse policy_in=ExceptionResponse::WARN, const GpuDetails &gpu=null_gpu, StopWatch *timer_in=nullptr) (defined in stormm::energy::AtomGraphSynthesis)stormm::energy::AtomGraphSynthesis
AtomGraphSynthesis(const AtomGraphSynthesis &original)stormm::energy::AtomGraphSynthesis
AtomGraphSynthesis(AtomGraphSynthesis &&original) (defined in stormm::energy::AtomGraphSynthesis)stormm::energy::AtomGraphSynthesis
getAngleParameterCount() conststormm::energy::AtomGraphSynthesis
getAngleTermCount() conststormm::energy::AtomGraphSynthesis
getAtomCount() conststormm::energy::AtomGraphSynthesis
getAtomCount(int system_index) const (defined in stormm::energy::AtomGraphSynthesis)stormm::energy::AtomGraphSynthesis
getAtomicMasses(HybridTargetLevel tier) conststormm::energy::AtomGraphSynthesis
getAtomicMasses(HybridTargetLevel tier, int system_index) const (defined in stormm::energy::AtomGraphSynthesis)stormm::energy::AtomGraphSynthesis
getAtomicMasses(HybridTargetLevel tier, int system_index, int low_index, int high_index) const (defined in stormm::energy::AtomGraphSynthesis)stormm::energy::AtomGraphSynthesis
getAtomOffset(int system_index) conststormm::energy::AtomGraphSynthesis
getBondParameterCount() conststormm::energy::AtomGraphSynthesis
getBondTermCount() conststormm::energy::AtomGraphSynthesis
getChargeTypeCount() conststormm::energy::AtomGraphSynthesis
getCharmmImproperParameterCount() conststormm::energy::AtomGraphSynthesis
getCharmmImproperTermCount() conststormm::energy::AtomGraphSynthesis
getCmapSurfaceCount() conststormm::energy::AtomGraphSynthesis
getCmapTermCount() conststormm::energy::AtomGraphSynthesis
getConstrainedDegreesOfFreedom() conststormm::energy::AtomGraphSynthesis
getCoulombConstant() conststormm::energy::AtomGraphSynthesis
getDegreesOfFreedom() conststormm::energy::AtomGraphSynthesis
getDielectricConstant() conststormm::energy::AtomGraphSynthesis
getDihedralParameterCount() conststormm::energy::AtomGraphSynthesis
getDihedralTermCount() conststormm::energy::AtomGraphSynthesis
getDoublePrecisionAtomUpdateKit(HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::energy::AtomGraphSynthesis
getDoublePrecisionNonbondedKit(HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::energy::AtomGraphSynthesis
getDoublePrecisionRestraintKit(HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::energy::AtomGraphSynthesis
getDoublePrecisionValenceKit(HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::energy::AtomGraphSynthesis
getImplicitSolventModel() conststormm::energy::AtomGraphSynthesis
getLJTypeCount() conststormm::energy::AtomGraphSynthesis
getNonbondedWorkType() conststormm::energy::AtomGraphSynthesis
getNonbondedWorkUnitCount() conststormm::energy::AtomGraphSynthesis
getPaddedAtomCount() conststormm::energy::AtomGraphSynthesis
getPartialCharges(HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::energy::AtomGraphSynthesis
getPartialCharges(int system_index, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::energy::AtomGraphSynthesis)stormm::energy::AtomGraphSynthesis
getPartialCharges(int system_index, int low_index, int high_index, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::energy::AtomGraphSynthesis)stormm::energy::AtomGraphSynthesis
getPBRadiiSet() conststormm::energy::AtomGraphSynthesis
getPBRadiiSet(int low_limit, int high_limit) const (defined in stormm::energy::AtomGraphSynthesis)stormm::energy::AtomGraphSynthesis
getPBRadiiSet(int index) const (defined in stormm::energy::AtomGraphSynthesis)stormm::energy::AtomGraphSynthesis
getRandomCacheDepth() conststormm::energy::AtomGraphSynthesis
getRdwuPerSystem() conststormm::energy::AtomGraphSynthesis
getReductionWorkUnitAbstracts() conststormm::energy::AtomGraphSynthesis
getReductionWorkUnitCount() conststormm::energy::AtomGraphSynthesis
getSaltConcentration() conststormm::energy::AtomGraphSynthesis
getSelfPointer() conststormm::energy::AtomGraphSynthesis
getSinglePrecisionAtomUpdateKit(HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::energy::AtomGraphSynthesis
getSinglePrecisionNonbondedKit(HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::energy::AtomGraphSynthesis
getSinglePrecisionRestraintKit(HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::energy::AtomGraphSynthesis
getSinglePrecisionValenceKit(HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::energy::AtomGraphSynthesis
getSystemAtomCounts() conststormm::energy::AtomGraphSynthesis
getSystemAtomOffsets() conststormm::energy::AtomGraphSynthesis
getSystemCount() conststormm::energy::AtomGraphSynthesis
getSystemRestraintPointer(int system_index) conststormm::energy::AtomGraphSynthesis
getSystemTopologyPointer(int system_index) conststormm::energy::AtomGraphSynthesis
getSystemTopologyPointer() const (defined in stormm::energy::AtomGraphSynthesis)stormm::energy::AtomGraphSynthesis
getTopologyIndices() conststormm::energy::AtomGraphSynthesis
getUniqueTopologies() conststormm::energy::AtomGraphSynthesis
getUniqueTopologyCount() conststormm::energy::AtomGraphSynthesis
getUnitCellType() conststormm::energy::AtomGraphSynthesis
getUreyBradleyParameterCount() conststormm::energy::AtomGraphSynthesis
getUreyBradleyTermCount() conststormm::energy::AtomGraphSynthesis
getValenceThreadBlockSize() conststormm::energy::AtomGraphSynthesis
getValenceWorkUnitAbstracts() conststormm::energy::AtomGraphSynthesis
getValenceWorkUnitCount() conststormm::energy::AtomGraphSynthesis
getValenceWorkUnitSize() conststormm::energy::AtomGraphSynthesis
getVirtualSiteCount() conststormm::energy::AtomGraphSynthesis
loadNonbondedWorkUnits(const StaticExclusionMaskSynthesis &poly_se, InitializationTask init_request=InitializationTask::NONE, int random_cache_depth=0, const GpuDetails &gpu=null_gpu)stormm::energy::AtomGraphSynthesis
operator=(const AtomGraphSynthesis &original) (defined in stormm::energy::AtomGraphSynthesis)stormm::energy::AtomGraphSynthesis
operator=(AtomGraphSynthesis &&original) (defined in stormm::energy::AtomGraphSynthesis)stormm::energy::AtomGraphSynthesis
setImplicitSolventModel()stormm::energy::AtomGraphSynthesis
setImplicitSolventModel(ImplicitSolventModel igb_in, const NeckGeneralizedBornKit< double > &ngbk, const std::vector< AtomicRadiusSet > &radii_sets_in, double dielectric_in=80.0, double saltcon_in=0.0, ExceptionResponse policy=ExceptionResponse::WARN) (defined in stormm::energy::AtomGraphSynthesis)stormm::energy::AtomGraphSynthesis
setImplicitSolventModel(ImplicitSolventModel igb_in, const NeckGeneralizedBornKit< double > &ngbk, AtomicRadiusSet radii_set=AtomicRadiusSet::NONE, double dielectric_in=80.0, double saltcon_in=0.0, ExceptionResponse policy=ExceptionResponse::WARN) (defined in stormm::energy::AtomGraphSynthesis)stormm::energy::AtomGraphSynthesis
setImplicitSolventModel(ImplicitSolventModel igb_in, const NeckGeneralizedBornTable &ngb_tab, const std::vector< AtomicRadiusSet > &radii_sets_in, double dielectric_in=80.0, double saltcon_in=0.0, ExceptionResponse policy=ExceptionResponse::WARN) (defined in stormm::energy::AtomGraphSynthesis)stormm::energy::AtomGraphSynthesis
setImplicitSolventModel(ImplicitSolventModel igb_in, const NeckGeneralizedBornTable &ngb_tab, AtomicRadiusSet radii_set=AtomicRadiusSet::NONE, double dielectric_in=80.0, double saltcon_in=0.0, ExceptionResponse policy=ExceptionResponse::WARN) (defined in stormm::energy::AtomGraphSynthesis)stormm::energy::AtomGraphSynthesis
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