stormm::chemistry::PhaseSpaceSynthesis Member List
This is the complete list of members for stormm::chemistry::PhaseSpaceSynthesis, including all inherited members.
| borders(CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) const | stormm::chemistry::PhaseSpaceSynthesis | |
| borders(HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| data(HybridTargetLevel tier=HybridTargetLevel::HOST) const | stormm::chemistry::PhaseSpaceSynthesis | |
| data(CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| data(HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| data(CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| exportCoordinates(int index, CoordinateCycle orientation, HybridFormat format_out, TrajectoryKind trajkind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) const | stormm::chemistry::PhaseSpaceSynthesis | |
| exportCoordinates(int index, CoordinateCycle orientation, TrajectoryKind trajkind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| exportCoordinates(int index, HybridFormat format_out, TrajectoryKind trajkind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| exportCoordinates(int index, TrajectoryKind trajkind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| exportSystem(int index, HybridTargetLevel tier=HybridTargetLevel::HOST) const | stormm::chemistry::PhaseSpaceSynthesis | |
| extractSystem(PhaseSpace *ps, int index, HybridTargetLevel origin=HybridTargetLevel::HOST, HybridTargetLevel destination=HybridTargetLevel::HOST, const GpuDetails &gpu=null_gpu) const | stormm::chemistry::PhaseSpaceSynthesis | |
| getAtomCount(int system_index) const | stormm::chemistry::PhaseSpaceSynthesis | |
| getAtomOffset(int system_index) const | stormm::chemistry::PhaseSpaceSynthesis | |
| getBoxDimensionsHandle(CoordinateCycle orientation) const | stormm::chemistry::PhaseSpaceSynthesis | |
| getBoxDimensionsHandle() const (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getBoxDimensionsHandle(CoordinateCycle orientation) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getBoxDimensionsHandle() (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getBoxTransformsHandle(CoordinateCycle orientation) const | stormm::chemistry::PhaseSpaceSynthesis | |
| getBoxTransformsHandle() const (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getBoxTransformsHandle(CoordinateCycle orientation) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getBoxTransformsHandle() (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getBoxVectorsHandle(CoordinateCycle orientation) const | stormm::chemistry::PhaseSpaceSynthesis | |
| getBoxVectorsHandle() const (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getBoxVectorsHandle(CoordinateCycle orientation) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getBoxVectorsHandle() (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getBoxVectorsOverflowHandle(CoordinateCycle orientation) const | stormm::chemistry::PhaseSpaceSynthesis | |
| getBoxVectorsOverflowHandle() const (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getBoxVectorsOverflowHandle(CoordinateCycle orientation) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getBoxVectorsOverflowHandle() (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getCoordinateHandle(CartesianDimension dim, TrajectoryKind kind, CoordinateCycle orientation) const | stormm::chemistry::PhaseSpaceSynthesis | |
| getCoordinateHandle(CartesianDimension dim, TrajectoryKind kind=TrajectoryKind::POSITIONS) const (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getCoordinateHandle(CartesianDimension dim, TrajectoryKind kind, CoordinateCycle orientation) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getCoordinateHandle(CartesianDimension dim, TrajectoryKind kind=TrajectoryKind::POSITIONS) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getCoordinateOverflowHandle(CartesianDimension dim, TrajectoryKind kind, CoordinateCycle orientation) const | stormm::chemistry::PhaseSpaceSynthesis | |
| getCoordinateOverflowHandle(CartesianDimension dim, TrajectoryKind kind=TrajectoryKind::POSITIONS) const (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getCoordinateOverflowHandle(CartesianDimension dim, TrajectoryKind kind, CoordinateCycle orientation) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getCoordinateOverflowHandle(CartesianDimension dim, TrajectoryKind kind=TrajectoryKind::POSITIONS) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getCyclePosition() const | stormm::chemistry::PhaseSpaceSynthesis | |
| getForceAccumulationBits() const | stormm::chemistry::PhaseSpaceSynthesis | |
| getForceScalingFactor() const | stormm::chemistry::PhaseSpaceSynthesis | |
| getFormat() const | stormm::chemistry::PhaseSpaceSynthesis | |
| getGlobalPositionBits() const | stormm::chemistry::PhaseSpaceSynthesis | |
| getInterlacedCoordinates(int index, CoordinateCycle orientation, TrajectoryKind trajkind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) const | stormm::chemistry::PhaseSpaceSynthesis | |
| getInterlacedCoordinates(int index, TrajectoryKind trajkind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getInverseForceScalingFactor() const | stormm::chemistry::PhaseSpaceSynthesis | |
| getInverseTransformsHandle(CoordinateCycle orientation) const | stormm::chemistry::PhaseSpaceSynthesis | |
| getInverseTransformsHandle() const (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getInverseTransformsHandle(CoordinateCycle orientation) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getInverseTransformsHandle() (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getLocalPositionBits() const | stormm::chemistry::PhaseSpaceSynthesis | |
| getPaddedAtomCount() const | stormm::chemistry::PhaseSpaceSynthesis | |
| getSelfPointer() const | stormm::chemistry::PhaseSpaceSynthesis | |
| getSystemCount() const | stormm::chemistry::PhaseSpaceSynthesis | |
| getSystemIndicesByTopology(int topology_index) const | stormm::chemistry::PhaseSpaceSynthesis | |
| getSystemTopologyPointer(int system_index) const | stormm::chemistry::PhaseSpaceSynthesis | |
| getSystemTopologyPointer() const (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| getTopologyInstanceCount(int topology_index) const | stormm::chemistry::PhaseSpaceSynthesis | |
| getUniqueTopologies() const | stormm::chemistry::PhaseSpaceSynthesis | |
| getUniqueTopologyCount() const | stormm::chemistry::PhaseSpaceSynthesis | |
| getUniqueTopologyExampleIndices() const | stormm::chemistry::PhaseSpaceSynthesis | |
| getUniqueTopologyIndex(int system_index) const | stormm::chemistry::PhaseSpaceSynthesis | |
| getUniqueTopologyIndices() const | stormm::chemistry::PhaseSpaceSynthesis | |
| getUnitCellType() const | stormm::chemistry::PhaseSpaceSynthesis | |
| getVelocityBits() const | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const PhaseSpaceReader &psr, int system_index, CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const PhaseSpaceReader &psr, int system_index, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const PhaseSpaceWriter &psw, int system_index, CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const PhaseSpaceWriter &psw, int system_index, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const PhaseSpace &ps, int system_index, CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const PhaseSpace &ps, int system_index, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const CoordinateFrameReader &cfr, int system_index, CoordinateCycle orientation, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const CoordinateFrameReader &cfr, int system_index, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const CoordinateFrameWriter &cfw, int system_index, CoordinateCycle orientation, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const CoordinateFrameWriter &cfw, int system_index, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const CoordinateFrame &cf, int system_index, CoordinateCycle orientation, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const CoordinateFrame &cf, int system_index, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const T *x_import, const T *y_import, const T *z_import, const double *box_xform_in, const double *inverse_xform_in, const double *box_dimensions_in, int system_index, CoordinateCycle orientation, double inverse_scaling_factor=1.0, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const CoordinateSeriesReader< T > &csr, int frame_index, int system_index, CoordinateCycle orientation, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const CoordinateSeriesReader< T > &csr, int frame_index, int system_index, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const CoordinateSeriesWriter< T > &csw, int frame_index, int system_index, CoordinateCycle orientation, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const CoordinateSeriesWriter< T > &csw, int frame_index, int system_index, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const CoordinateSeries< T > &cs, int frame_index, int system_index, CoordinateCycle orientation, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| importSystem(const CoordinateSeries< T > &cs, int frame_index, int system_index, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| initializeForces(CoordinateCycle orientation, int index=-1) | stormm::chemistry::PhaseSpaceSynthesis | |
| initializeForces(int index=-1) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| operator=(const PhaseSpaceSynthesis &other) | stormm::chemistry::PhaseSpaceSynthesis | |
| operator=(PhaseSpaceSynthesis &&other) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| PhaseSpaceSynthesis(const std::vector< PhaseSpace > &ps_list, const std::vector< AtomGraph * > &ag_list, int globalpos_scale_bits_in=default_globalpos_scale_bits, int localpos_scale_bits_in=default_localpos_scale_bits, int velocity_scale_bits_in=default_velocity_scale_bits, int force_scale_bits_in=default_force_scale_bits, HybridFormat format_in=default_hpc_format, const GpuDetails &gpu=null_gpu) | stormm::chemistry::PhaseSpaceSynthesis | |
| PhaseSpaceSynthesis(const std::vector< PhaseSpace > &ps_list, const std::vector< AtomGraph * > &ag_list, const std::vector< int > &index_key, int globalpos_scale_bits_in=default_globalpos_scale_bits, int localpos_scale_bits_in=default_localpos_scale_bits, int velocity_scale_bits_in=default_velocity_scale_bits, int force_scale_bits_in=default_force_scale_bits, HybridFormat format_in=default_hpc_format, const GpuDetails &gpu=null_gpu) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| PhaseSpaceSynthesis(const std::vector< PhaseSpace > &ps_list, const std::vector< int > &ps_index_key, const std::vector< AtomGraph * > &ag_list, const std::vector< int > &ag_index_key, int globalpos_scale_bits_in=default_globalpos_scale_bits, int localpos_scale_bits_in=default_localpos_scale_bits, int velocity_scale_bits_in=default_velocity_scale_bits, int force_scale_bits_in=default_force_scale_bits, HybridFormat format_in=default_hpc_format, const GpuDetails &gpu=null_gpu) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| PhaseSpaceSynthesis(const PhaseSpaceSynthesis &original) | stormm::chemistry::PhaseSpaceSynthesis | |
| PhaseSpaceSynthesis(const PhaseSpaceSynthesis &original, HybridFormat format_in) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| PhaseSpaceSynthesis(PhaseSpaceSynthesis &&original) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis | |
| primeConjugateGradientCalculation() | stormm::chemistry::PhaseSpaceSynthesis | |
| printTrajectory(const std::vector< int > &system_indices, const std::string &file_name, double current_time, CoordinateFileKind output_kind, PrintSituation expectation) const | stormm::chemistry::PhaseSpaceSynthesis | |
| updateCyclePosition() | stormm::chemistry::PhaseSpaceSynthesis | |
| updateCyclePosition(CoordinateCycle time_point) (defined in stormm::chemistry::PhaseSpaceSynthesis) | stormm::chemistry::PhaseSpaceSynthesis |
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