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MRMD 0.4.0
Multi Resolution Molecular Dynamics
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Namespaces | |
| namespace | action |
| namespace | analysis |
| namespace | bin_op |
| namespace | communication |
| namespace | data |
| namespace | io |
| namespace | toSI |
| namespace | util |
| namespace | weighting_function |
Concepts | |
| concept | OneCoordinatePredicate |
| Concept for predicates that take one coordinate as input, e.g. | |
| concept | OnePositionPredicate |
| Concept for predicates that take one position as input, e.g. | |
| concept | TwoPositionsPredicate |
| Concept for predicates that take two positions as input, e.g. | |
Typedefs | |
| using | idx_t = int64_t |
| using | real_t = double |
| using | Point3D = Kokkos::Array< real_t, 3 > |
| using | Vector3D = Kokkos::Array< real_t, 3 > |
| using | IndexView = Kokkos::View< idx_t * > |
| using | IntView = Kokkos::View< idx_t * > |
| using | IntScatterView = Kokkos::Experimental::ScatterView< idx_t * > |
| using | PairView = Kokkos::View< idx_t *[2]> |
| using | SingleView = Kokkos::View< real_t > |
| using | SingleScatterView = Kokkos::Experimental::ScatterView< real_t > |
| using | ScalarView = Kokkos::View< real_t * > |
| using | ScalarScatterView = Kokkos::Experimental::ScatterView< real_t * > |
| using | MultiView = Kokkos::View< real_t ** > |
| using | MultiScatterView = Kokkos::Experimental::ScatterView< real_t ** > |
| using | VectorView = Kokkos::View< real_t *[3]> |
| using | VectorScatterView = Kokkos::Experimental::ScatterView< real_t *[3]> |
| using | HostType = Kokkos::Device< Kokkos::DefaultHostExecutionSpace, Kokkos::DefaultHostExecutionSpace::memory_space > |
| using | DeviceType = Kokkos::Device< Kokkos::DefaultExecutionSpace, Kokkos::DefaultExecutionSpace::memory_space > |
| using | LinkedCellList = Cabana::LinkedCellList< typename DeviceType::memory_space > |
| using | VerletList = Cabana::VerletList< Kokkos::DefaultExecutionSpace::memory_space, Cabana::HalfNeighborTag, Cabana::VerletLayout2D, Cabana::TeamOpTag > |
| using | HalfVerletList = Cabana::VerletList< Kokkos::DefaultExecutionSpace::memory_space, Cabana::HalfNeighborTag, Cabana::VerletLayout2D, Cabana::TeamOpTag > |
| using | FullVerletList = Cabana::VerletList< Kokkos::DefaultExecutionSpace::memory_space, Cabana::FullNeighborTag, Cabana::VerletLayout2D, Cabana::TeamOpTag > |
| using | NeighborList = Cabana::NeighborList< HalfVerletList > |
| using | HalfNeighborList = Cabana::NeighborList< HalfVerletList > |
| using | FullNeighborList = Cabana::NeighborList< FullVerletList > |
Enumerations | |
| enum class | AXIS : idx_t { X = 0 , Y = 1 , Z = 2 } |
Functions | |
| template<typename T > | |
| KOKKOS_INLINE_FUNCTION constexpr unsigned int | uint_c (const T &val) |
| template<typename T > | |
| KOKKOS_INLINE_FUNCTION constexpr uint8_t | uint8_c (const T &val) |
| template<typename T > | |
| KOKKOS_INLINE_FUNCTION constexpr uint16_t | uint16_c (const T &val) |
| template<typename T > | |
| KOKKOS_INLINE_FUNCTION constexpr uint32_t | uint32_c (const T &val) |
| template<typename T > | |
| KOKKOS_INLINE_FUNCTION constexpr uint64_t | uint64_c (const T &val) |
| template<typename T > | |
| KOKKOS_INLINE_FUNCTION constexpr int | int_c (const T &val) |
| template<typename T > | |
| KOKKOS_INLINE_FUNCTION constexpr int8_t | int8_c (const T &val) |
| template<typename T > | |
| KOKKOS_INLINE_FUNCTION constexpr int16_t | int16_c (const T &val) |
| template<typename T > | |
| KOKKOS_INLINE_FUNCTION constexpr int32_t | int32_c (const T &val) |
| template<typename T > | |
| KOKKOS_INLINE_FUNCTION constexpr int64_t | int64_c (const T &val) |
| template<typename T > | |
| KOKKOS_INLINE_FUNCTION constexpr idx_t | idx_c (const T &val) |
| KOKKOS_INLINE_FUNCTION constexpr real_t | operator""_r (const long double val) |
| KOKKOS_INLINE_FUNCTION constexpr real_t | operator""_r (const unsigned long long val) |
| template<typename T > | |
| KOKKOS_INLINE_FUNCTION constexpr real_t | real_c (T t) |
| template<typename T > | |
| KOKKOS_INLINE_FUNCTION constexpr double | double_c (const T &val) |
| template<typename T > | |
| KOKKOS_INLINE_FUNCTION constexpr float | float_c (const T &val) |
| template<typename FLOAT > | |
| KOKKOS_INLINE_FUNCTION bool | isFloatEqual (const FLOAT &lhs, const FLOAT &rhs, const FLOAT &epsilon=std::numeric_limits< FLOAT >::epsilon()) |
| template<class Enum > | |
| KOKKOS_INLINE_FUNCTION constexpr std::underlying_type_t< Enum > | to_underlying (Enum e) noexcept |
| void | initialize (int argc, char **argv) |
| void | initialize () |
| void | finalize () |
| void | CHECK_MPI (const int &status) |
Variables | |
| static constexpr int | DIMENSIONS = 3 |
| number of spatial dimensions | |
| constexpr auto | pi = std::numbers::pi_v<real_t> |
| constexpr auto | inv_sqrtpi = std::numbers::inv_sqrtpi_v<real_t> |
| using mrmd::DeviceType = typedef Kokkos::Device<Kokkos::DefaultExecutionSpace, Kokkos::DefaultExecutionSpace::memory_space> |
| using mrmd::FullNeighborList = typedef Cabana::NeighborList<FullVerletList> |
| using mrmd::FullVerletList = typedef Cabana::VerletList<Kokkos::DefaultExecutionSpace::memory_space, Cabana::FullNeighborTag, Cabana::VerletLayout2D, Cabana::TeamOpTag> |
| using mrmd::HalfNeighborList = typedef Cabana::NeighborList<HalfVerletList> |
| using mrmd::HalfVerletList = typedef Cabana::VerletList<Kokkos::DefaultExecutionSpace::memory_space, Cabana::HalfNeighborTag, Cabana::VerletLayout2D, Cabana::TeamOpTag> |
| using mrmd::HostType = typedef Kokkos::Device<Kokkos::DefaultHostExecutionSpace, Kokkos::DefaultHostExecutionSpace::memory_space> |
| using mrmd::idx_t = typedef int64_t |
| using mrmd::IndexView = typedef Kokkos::View<idx_t*> |
| using mrmd::IntScatterView = typedef Kokkos::Experimental::ScatterView<idx_t*> |
| using mrmd::IntView = typedef Kokkos::View<idx_t*> |
| using mrmd::LinkedCellList = typedef Cabana::LinkedCellList<typename DeviceType::memory_space> |
| using mrmd::MultiScatterView = typedef Kokkos::Experimental::ScatterView<real_t**> |
| using mrmd::MultiView = typedef Kokkos::View<real_t**> |
| using mrmd::NeighborList = typedef Cabana::NeighborList<HalfVerletList> |
| using mrmd::PairView = typedef Kokkos::View<idx_t* [2]> |
| using mrmd::Point3D = typedef Kokkos::Array<real_t, 3> |
| using mrmd::real_t = typedef double |
| using mrmd::ScalarScatterView = typedef Kokkos::Experimental::ScatterView<real_t*> |
| using mrmd::ScalarView = typedef Kokkos::View<real_t*> |
| using mrmd::SingleScatterView = typedef Kokkos::Experimental::ScatterView<real_t> |
| using mrmd::SingleView = typedef Kokkos::View<real_t> |
| using mrmd::Vector3D = typedef Kokkos::Array<real_t, 3> |
| using mrmd::VectorScatterView = typedef Kokkos::Experimental::ScatterView<real_t* [3]> |
| using mrmd::VectorView = typedef Kokkos::View<real_t* [3]> |
| using mrmd::VerletList = typedef Cabana::VerletList<Kokkos::DefaultExecutionSpace::memory_space, Cabana::HalfNeighborTag, Cabana::VerletLayout2D, Cabana::TeamOpTag> |
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strong |
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inline |
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constexpr |
| void mrmd::finalize | ( | ) |
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constexpr |
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constexpr |
| void mrmd::initialize | ( | ) |
| void mrmd::initialize | ( | int | argc, |
| char ** | argv | ||
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constexpr |
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constexpr |
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constexpr |
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constexpr |
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constexpr |
| KOKKOS_INLINE_FUNCTION bool mrmd::isFloatEqual | ( | const FLOAT & | lhs, |
| const FLOAT & | rhs, | ||
| const FLOAT & | epsilon = std::numeric_limits<FLOAT>::epsilon() |
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| ) |
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constexpr |
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constexpr |
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constexpr |
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constexprnoexcept |
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constexpr |
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constexpr |
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constexpr |
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constexpr |
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constexpr |
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staticconstexpr |
number of spatial dimensions
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constexpr |
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constexpr |