STORMM Source Documentation
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stormm::testing::PhaseSpaceSynthesis Member List

This is the complete list of members for stormm::testing::PhaseSpaceSynthesis, including all inherited members.

borders(CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::testing::PhaseSpaceSynthesis
borders(HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
data(HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::testing::PhaseSpaceSynthesis
data(CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
data(HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
data(CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
exportCoordinates(int index, CoordinateCycle orientation, HybridFormat format_out, TrajectoryKind trajkind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::testing::PhaseSpaceSynthesis
exportCoordinates(int index, CoordinateCycle orientation, TrajectoryKind trajkind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
exportCoordinates(int index, HybridFormat format_out, TrajectoryKind trajkind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
exportCoordinates(int index, TrajectoryKind trajkind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
exportSystem(int index, HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::testing::PhaseSpaceSynthesis
extractSystem(PhaseSpace *ps, int index, HybridTargetLevel origin=HybridTargetLevel::HOST, HybridTargetLevel destination=HybridTargetLevel::HOST, const GpuDetails &gpu=null_gpu) conststormm::testing::PhaseSpaceSynthesis
getAtomCount(int system_index) conststormm::testing::PhaseSpaceSynthesis
getAtomOffset(int system_index) conststormm::testing::PhaseSpaceSynthesis
getBoxDimensionsHandle(CoordinateCycle orientation) conststormm::testing::PhaseSpaceSynthesis
getBoxDimensionsHandle() const (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getBoxDimensionsHandle(CoordinateCycle orientation) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getBoxDimensionsHandle() (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getBoxTransformsHandle(CoordinateCycle orientation) conststormm::testing::PhaseSpaceSynthesis
getBoxTransformsHandle() const (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getBoxTransformsHandle(CoordinateCycle orientation) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getBoxTransformsHandle() (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getBoxVectorsHandle(CoordinateCycle orientation) conststormm::testing::PhaseSpaceSynthesis
getBoxVectorsHandle() const (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getBoxVectorsHandle(CoordinateCycle orientation) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getBoxVectorsHandle() (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getBoxVectorsOverflowHandle(CoordinateCycle orientation) conststormm::testing::PhaseSpaceSynthesis
getBoxVectorsOverflowHandle() const (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getBoxVectorsOverflowHandle(CoordinateCycle orientation) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getBoxVectorsOverflowHandle() (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getCoordinateHandle(CartesianDimension dim, TrajectoryKind kind, CoordinateCycle orientation) conststormm::testing::PhaseSpaceSynthesis
getCoordinateHandle(CartesianDimension dim, TrajectoryKind kind=TrajectoryKind::POSITIONS) const (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getCoordinateHandle(CartesianDimension dim, TrajectoryKind kind, CoordinateCycle orientation) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getCoordinateHandle(CartesianDimension dim, TrajectoryKind kind=TrajectoryKind::POSITIONS) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getCoordinateOverflowHandle(CartesianDimension dim, TrajectoryKind kind, CoordinateCycle orientation) conststormm::testing::PhaseSpaceSynthesis
getCoordinateOverflowHandle(CartesianDimension dim, TrajectoryKind kind=TrajectoryKind::POSITIONS) const (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getCoordinateOverflowHandle(CartesianDimension dim, TrajectoryKind kind, CoordinateCycle orientation) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getCoordinateOverflowHandle(CartesianDimension dim, TrajectoryKind kind=TrajectoryKind::POSITIONS) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getCyclePosition() conststormm::testing::PhaseSpaceSynthesis
getForceAccumulationBits() conststormm::testing::PhaseSpaceSynthesis
getForceScalingFactor() conststormm::testing::PhaseSpaceSynthesis
getFormat() conststormm::testing::PhaseSpaceSynthesis
getGlobalPositionBits() conststormm::testing::PhaseSpaceSynthesis
getInterlacedCoordinates(int index, CoordinateCycle orientation, TrajectoryKind trajkind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) conststormm::testing::PhaseSpaceSynthesis
getInterlacedCoordinates(int index, TrajectoryKind trajkind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) const (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getInverseForceScalingFactor() conststormm::testing::PhaseSpaceSynthesis
getInverseTransformsHandle(CoordinateCycle orientation) conststormm::testing::PhaseSpaceSynthesis
getInverseTransformsHandle() const (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getInverseTransformsHandle(CoordinateCycle orientation) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getInverseTransformsHandle() (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getLocalPositionBits() conststormm::testing::PhaseSpaceSynthesis
getPaddedAtomCount() conststormm::testing::PhaseSpaceSynthesis
getSelfPointer() conststormm::testing::PhaseSpaceSynthesis
getSystemCount() conststormm::testing::PhaseSpaceSynthesis
getSystemIndicesByTopology(int topology_index) conststormm::testing::PhaseSpaceSynthesis
getSystemTopologyPointer(int system_index) conststormm::testing::PhaseSpaceSynthesis
getSystemTopologyPointer() const (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
getTopologyInstanceCount(int topology_index) conststormm::testing::PhaseSpaceSynthesis
getUniqueTopologies() conststormm::testing::PhaseSpaceSynthesis
getUniqueTopologyCount() conststormm::testing::PhaseSpaceSynthesis
getUniqueTopologyExampleIndices() conststormm::testing::PhaseSpaceSynthesis
getUniqueTopologyIndex(int system_index) conststormm::testing::PhaseSpaceSynthesis
getUniqueTopologyIndices() conststormm::testing::PhaseSpaceSynthesis
getUnitCellType() conststormm::testing::PhaseSpaceSynthesis
getVelocityBits() conststormm::testing::PhaseSpaceSynthesis
importSystem(const PhaseSpaceReader &psr, int system_index, CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST)stormm::testing::PhaseSpaceSynthesis
importSystem(const PhaseSpaceReader &psr, int system_index, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
importSystem(const PhaseSpaceWriter &psw, int system_index, CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
importSystem(const PhaseSpaceWriter &psw, int system_index, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
importSystem(const PhaseSpace &ps, int system_index, CoordinateCycle orientation, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
importSystem(const PhaseSpace &ps, int system_index, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
importSystem(const CoordinateFrameReader &cfr, int system_index, CoordinateCycle orientation, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
importSystem(const CoordinateFrameReader &cfr, int system_index, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
importSystem(const CoordinateFrameWriter &cfw, int system_index, CoordinateCycle orientation, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
importSystem(const CoordinateFrameWriter &cfw, int system_index, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
importSystem(const CoordinateFrame &cf, int system_index, CoordinateCycle orientation, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
importSystem(const CoordinateFrame &cf, int system_index, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::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::testing::PhaseSpaceSynthesis)stormm::testing::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::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
importSystem(const CoordinateSeriesReader< T > &csr, int frame_index, int system_index, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::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::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
importSystem(const CoordinateSeriesWriter< T > &csw, int frame_index, int system_index, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::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::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
importSystem(const CoordinateSeries< T > &cs, int frame_index, int system_index, TrajectoryKind kind=TrajectoryKind::POSITIONS, HybridTargetLevel tier=HybridTargetLevel::HOST) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
initializeForces(CoordinateCycle orientation, int index=-1)stormm::testing::PhaseSpaceSynthesis
initializeForces(int index=-1) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
operator=(const PhaseSpaceSynthesis &other)stormm::testing::PhaseSpaceSynthesis
operator=(PhaseSpaceSynthesis &&other) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::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::testing::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::testing::PhaseSpaceSynthesis)stormm::testing::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::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
PhaseSpaceSynthesis(const PhaseSpaceSynthesis &original)stormm::testing::PhaseSpaceSynthesis
PhaseSpaceSynthesis(const PhaseSpaceSynthesis &original, HybridFormat format_in) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
PhaseSpaceSynthesis(PhaseSpaceSynthesis &&original) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis
primeConjugateGradientCalculation()stormm::testing::PhaseSpaceSynthesis
printTrajectory(const std::vector< int > &system_indices, const std::string &file_name, double current_time, CoordinateFileKind output_kind, PrintSituation expectation) conststormm::testing::PhaseSpaceSynthesis
updateCyclePosition()stormm::testing::PhaseSpaceSynthesis
updateCyclePosition(CoordinateCycle time_point) (defined in stormm::testing::PhaseSpaceSynthesis)stormm::testing::PhaseSpaceSynthesis