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Octopus
|
Data Types | |
| type | cube_function_t |
| interface | dcube_to_mesh |
| interface | dmesh_to_cube |
| interface | zcube_to_mesh |
| interface | zmesh_to_cube |
Functions/Subroutines | |
| subroutine, public | cube_function_alloc_fs (cube, cf, force_alloc) |
| Allocates the local part of the Fourier space grid on the cube function. More... | |
| subroutine, public | cube_function_free_fs (cube, cf) |
| Deallocates the Fourier space buffer of the cube function. More... | |
| pure logical function | cube_map_is_trivial (cube) |
| True when the cube_map describes a trivial mesh->cube identity: the mesh is X-fastest with one full-X-row segment per (iy, iz) pair, and the cube has the same dimensions as the mesh. The mapping then degenerates to a flat memcopy. Holds for 3D periodic systems with MeshOrder = order_cube and no domain decomposition. More... | |
| subroutine, public | dcube_function_alloc_rs (cube, cf, in_device, force_alloc) |
| Allocates locally the real space grid, if PFFT library is not used. Otherwise, it assigns the PFFT real space grid to the cube real space grid, via pointer. More... | |
| subroutine, public | dcube_function_free_rs (cube, cf) |
| Deallocates the real space grid. More... | |
| subroutine, public | dcube_function_allgather (cube, cf, cf_local, order, gatherfs) |
| subroutine, public | dcube_function_rs2fs (cube, cf) |
| Fourier transform a cube function from real space to Fourier space. More... | |
| subroutine, public | dcube_function_fs2rs (cube, cf) |
| Fourier transform a cube function from Fourier space to real space. More... | |
| subroutine | dcube_map_ring_exchange (mpi_grp, send_mf, n_send_mf, recv_mf, n_recv_mf, send_map, n_send_map, recv_map, n_recv_map, send_proc, recv_proc) |
| One ring step of the domain-parallel mesh-to-cube exchange. More... | |
| subroutine | dmesh_to_cube_1 (mesh, mf, cube, cf) |
| Convert a single function from the mesh to the cube. More... | |
| subroutine | dmesh_to_cube_2 (mesh, mf, cube, cf, mf_buffer) |
| Convert a set of functions from the mesh to the cube. More... | |
| subroutine | dcube_to_mesh_1 (cube, cf, mesh, mf) |
| Convert a single function from the cube to the mesh. More... | |
| subroutine | dcube_to_mesh_2 (cube, cf, mesh, mf, mf_buffer) |
| Convert a set of functions from the cube to the mesh. More... | |
| subroutine, public | dmesh_to_cube_parallel (mesh, mf, cube, cf, map) |
| The next two subroutines convert a function between the normal mesh and the cube in parallel. More... | |
| subroutine, public | dcube_to_mesh_parallel (cube, cf, mesh, mf, map) |
| real(real64) function, public | dcube_function_surface_average (cube, cf) |
| This function calculates the surface average of any function. More... | |
| subroutine, public | dsubmesh_to_cube (sm, mf, cube, cf) |
| The next two subroutines convert a function between a submesh and the cube. More... | |
| subroutine, public | dcube_to_submesh (cube, cf, sm, mf) |
| subroutine, public | zcube_function_alloc_rs (cube, cf, in_device, force_alloc) |
| Allocates locally the real space grid, if PFFT library is not used. Otherwise, it assigns the PFFT real space grid to the cube real space grid, via pointer. More... | |
| subroutine, public | zcube_function_free_rs (cube, cf) |
| Deallocates the real space grid. More... | |
| subroutine, public | zcube_function_allgather (cube, cf, cf_local, order, gatherfs) |
| subroutine, public | zcube_function_rs2fs (cube, cf) |
| Fourier transform a cube function from real space to Fourier space. More... | |
| subroutine, public | zcube_function_fs2rs (cube, cf) |
| Fourier transform a cube function from Fourier space to real space. More... | |
| subroutine | zcube_map_ring_exchange (mpi_grp, send_mf, n_send_mf, recv_mf, n_recv_mf, send_map, n_send_map, recv_map, n_recv_map, send_proc, recv_proc) |
| One ring step of the domain-parallel mesh-to-cube exchange. More... | |
| subroutine | zmesh_to_cube_1 (mesh, mf, cube, cf) |
| Convert a single function from the mesh to the cube. More... | |
| subroutine | zmesh_to_cube_2 (mesh, mf, cube, cf, mf_buffer) |
| Convert a set of functions from the mesh to the cube. More... | |
| subroutine | zcube_to_mesh_1 (cube, cf, mesh, mf) |
| Convert a single function from the cube to the mesh. More... | |
| subroutine | zcube_to_mesh_2 (cube, cf, mesh, mf, mf_buffer) |
| Convert a set of functions from the cube to the mesh. More... | |
| subroutine, public | zmesh_to_cube_parallel (mesh, mf, cube, cf, map) |
| The next two subroutines convert a function between the normal mesh and the cube in parallel. More... | |
| subroutine, public | zcube_to_mesh_parallel (cube, cf, mesh, mf, map) |
| complex(real64) function, public | zcube_function_surface_average (cube, cf) |
| This function calculates the surface average of any function. More... | |
| subroutine, public | zsubmesh_to_cube (sm, mf, cube, cf) |
| The next two subroutines convert a function between a submesh and the cube. More... | |
| subroutine, public | zcube_to_submesh (cube, cf, sm, mf) |
| subroutine, public cube_function_oct_m::cube_function_alloc_fs | ( | type(cube_t), intent(in), target | cube, |
| type(cube_function_t), intent(inout) | cf, | ||
| logical, intent(in), optional | force_alloc | ||
| ) |
Allocates the local part of the Fourier space grid on the cube function.
If PFFT is used, it assigns the Fourier space grid to the cube Fourier space grid, via a pointer.
Definition at line 204 of file cube_function.F90.
| subroutine, public cube_function_oct_m::cube_function_free_fs | ( | type(cube_t), intent(in) | cube, |
| type(cube_function_t), intent(inout) | cf | ||
| ) |
Deallocates the Fourier space buffer of the cube function.
Definition at line 263 of file cube_function.F90.
|
private |
True when the cube_map describes a trivial mesh->cube identity: the mesh is X-fastest with one full-X-row segment per (iy, iz) pair, and the cube has the same dimensions as the mesh. The mapping then degenerates to a flat memcopy. Holds for 3D periodic systems with MeshOrder = order_cube and no domain decomposition.
Definition at line 308 of file cube_function.F90.
| subroutine, public cube_function_oct_m::dcube_function_alloc_rs | ( | type(cube_t), intent(in), target | cube, |
| type(cube_function_t), intent(inout) | cf, | ||
| logical, intent(in), optional | in_device, | ||
| logical, intent(in), optional | force_alloc | ||
| ) |
Allocates locally the real space grid, if PFFT library is not used. Otherwise, it assigns the PFFT real space grid to the cube real space grid, via pointer.
Definition at line 396 of file cube_function.F90.
| subroutine, public cube_function_oct_m::dcube_function_free_rs | ( | type(cube_t), intent(in) | cube, |
| type(cube_function_t), intent(inout) | cf | ||
| ) |
Deallocates the real space grid.
Definition at line 451 of file cube_function.F90.
| subroutine, public cube_function_oct_m::dcube_function_allgather | ( | type(cube_t), intent(in) | cube, |
| real(real64), dimension(:,:,:), intent(out) | cf, | ||
| real(real64), dimension(:,:,:), intent(in), contiguous | cf_local, | ||
| integer, dimension(3), intent(in), optional | order, | ||
| logical, intent(in), optional | gatherfs | ||
| ) |
Definition at line 491 of file cube_function.F90.
| subroutine, public cube_function_oct_m::dcube_function_rs2fs | ( | type(cube_t), intent(in) | cube, |
| type(cube_function_t), intent(inout) | cf | ||
| ) |
Fourier transform a cube function from real space to Fourier space.
Note that the dimensions of the function in fs are different depending on whether f is real or complex, because the FFT representation is different (FFTW scheme).
Definition at line 517 of file cube_function.F90.
| subroutine, public cube_function_oct_m::dcube_function_fs2rs | ( | type(cube_t), intent(in) | cube, |
| type(cube_function_t), intent(inout) | cf | ||
| ) |
Fourier transform a cube function from Fourier space to real space.
Definition at line 539 of file cube_function.F90.
|
private |
One ring step of the domain-parallel mesh-to-cube exchange.
Definition at line 563 of file cube_function.F90.
|
private |
Convert a single function from the mesh to the cube.
| [in] | mf | A function defined on the mesh, |
Definition at line 596 of file cube_function.F90.
|
private |
Convert a set of functions from the mesh to the cube.
| [in] | mf | A batch of functions defined on the mesh, |
| [in] | mf_buffer | Device-resident source buffer for the GPU path. This is mutually exclusive with mf. |
Definition at line 617 of file cube_function.F90.
|
private |
Convert a single function from the cube to the mesh.
| [in] | cf | cube function |
| [out] | mf | A function defined on the mesh, |
Definition at line 910 of file cube_function.F90.
|
private |
Convert a set of functions from the cube to the mesh.
| [in] | cf | cube function |
| [out] | mf | A batch of functions defined on the mesh, |
| [in,out] | mf_buffer | Device-resident destination buffer for the GPU path. This is mutually exclusive with mf. |
Definition at line 931 of file cube_function.F90.
| subroutine, public cube_function_oct_m::dmesh_to_cube_parallel | ( | class(mesh_t), intent(in) | mesh, |
| real(real64), dimension(:), intent(in), target | mf, | ||
| type(cube_t), intent(in) | cube, | ||
| type(cube_function_t), intent(inout) | cf, | ||
| type(mesh_cube_parallel_map_t), intent(in) | map | ||
| ) |
The next two subroutines convert a function between the normal mesh and the cube in parallel.
| [in] | mf | mf(meshnp) |
Definition at line 1071 of file cube_function.F90.
| subroutine, public cube_function_oct_m::dcube_to_mesh_parallel | ( | type(cube_t), intent(in) | cube, |
| type(cube_function_t), intent(in) | cf, | ||
| class(mesh_t), intent(in) | mesh, | ||
| real(real64), dimension(:), intent(out) | mf, | ||
| type(mesh_cube_parallel_map_t), intent(in) | map | ||
| ) |
| [out] | mf | mf(meshnp) |
Definition at line 1164 of file cube_function.F90.
| real(real64) function, public cube_function_oct_m::dcube_function_surface_average | ( | type(cube_t), intent(in) | cube, |
| type(cube_function_t), intent(in) | cf | ||
| ) |
This function calculates the surface average of any function.
Definition at line 1241 of file cube_function.F90.
| subroutine, public cube_function_oct_m::dsubmesh_to_cube | ( | type(submesh_t), intent(in) | sm, |
| real(real64), dimension(:), intent(in), target | mf, | ||
| type(cube_t), intent(in) | cube, | ||
| type(cube_function_t), intent(inout) | cf | ||
| ) |
The next two subroutines convert a function between a submesh and the cube.
| [in] | mf | function defined on the submesh. |
Definition at line 1294 of file cube_function.F90.
| subroutine, public cube_function_oct_m::dcube_to_submesh | ( | type(cube_t), intent(in) | cube, |
| type(cube_function_t), intent(in) | cf, | ||
| type(submesh_t), intent(in) | sm, | ||
| real(real64), dimension(:), intent(out), target | mf | ||
| ) |
| [out] | mf | function defined on the submesh. |
Definition at line 1387 of file cube_function.F90.
| subroutine, public cube_function_oct_m::zcube_function_alloc_rs | ( | type(cube_t), intent(in), target | cube, |
| type(cube_function_t), intent(inout) | cf, | ||
| logical, intent(in), optional | in_device, | ||
| logical, intent(in), optional | force_alloc | ||
| ) |
Allocates locally the real space grid, if PFFT library is not used. Otherwise, it assigns the PFFT real space grid to the cube real space grid, via pointer.
Definition at line 1528 of file cube_function.F90.
| subroutine, public cube_function_oct_m::zcube_function_free_rs | ( | type(cube_t), intent(in) | cube, |
| type(cube_function_t), intent(inout) | cf | ||
| ) |
Deallocates the real space grid.
Definition at line 1583 of file cube_function.F90.
| subroutine, public cube_function_oct_m::zcube_function_allgather | ( | type(cube_t), intent(in) | cube, |
| complex(real64), dimension(:,:,:), intent(out) | cf, | ||
| complex(real64), dimension(:,:,:), intent(in), contiguous | cf_local, | ||
| integer, dimension(3), intent(in), optional | order, | ||
| logical, intent(in), optional | gatherfs | ||
| ) |
Definition at line 1623 of file cube_function.F90.
| subroutine, public cube_function_oct_m::zcube_function_rs2fs | ( | type(cube_t), intent(in) | cube, |
| type(cube_function_t), intent(inout) | cf | ||
| ) |
Fourier transform a cube function from real space to Fourier space.
Note that the dimensions of the function in fs are different depending on whether f is real or complex, because the FFT representation is different (FFTW scheme).
Definition at line 1649 of file cube_function.F90.
| subroutine, public cube_function_oct_m::zcube_function_fs2rs | ( | type(cube_t), intent(in) | cube, |
| type(cube_function_t), intent(inout) | cf | ||
| ) |
Fourier transform a cube function from Fourier space to real space.
Definition at line 1671 of file cube_function.F90.
|
private |
One ring step of the domain-parallel mesh-to-cube exchange.
Definition at line 1695 of file cube_function.F90.
|
private |
Convert a single function from the mesh to the cube.
| [in] | mf | A function defined on the mesh, |
Definition at line 1728 of file cube_function.F90.
|
private |
Convert a set of functions from the mesh to the cube.
| [in] | mf | A batch of functions defined on the mesh, |
| [in] | mf_buffer | Device-resident source buffer for the GPU path. This is mutually exclusive with mf. |
Definition at line 1749 of file cube_function.F90.
|
private |
Convert a single function from the cube to the mesh.
| [in] | cf | cube function |
| [out] | mf | A function defined on the mesh, |
Definition at line 2042 of file cube_function.F90.
|
private |
Convert a set of functions from the cube to the mesh.
| [in] | cf | cube function |
| [out] | mf | A batch of functions defined on the mesh, |
| [in,out] | mf_buffer | Device-resident destination buffer for the GPU path. This is mutually exclusive with mf. |
Definition at line 2063 of file cube_function.F90.
| subroutine, public cube_function_oct_m::zmesh_to_cube_parallel | ( | class(mesh_t), intent(in) | mesh, |
| complex(real64), dimension(:), intent(in), target | mf, | ||
| type(cube_t), intent(in) | cube, | ||
| type(cube_function_t), intent(inout) | cf, | ||
| type(mesh_cube_parallel_map_t), intent(in) | map | ||
| ) |
The next two subroutines convert a function between the normal mesh and the cube in parallel.
| [in] | mf | mf(meshnp) |
Definition at line 2203 of file cube_function.F90.
| subroutine, public cube_function_oct_m::zcube_to_mesh_parallel | ( | type(cube_t), intent(in) | cube, |
| type(cube_function_t), intent(in) | cf, | ||
| class(mesh_t), intent(in) | mesh, | ||
| complex(real64), dimension(:), intent(out) | mf, | ||
| type(mesh_cube_parallel_map_t), intent(in) | map | ||
| ) |
| [out] | mf | mf(meshnp) |
Definition at line 2296 of file cube_function.F90.
| complex(real64) function, public cube_function_oct_m::zcube_function_surface_average | ( | type(cube_t), intent(in) | cube, |
| type(cube_function_t), intent(in) | cf | ||
| ) |
This function calculates the surface average of any function.
Definition at line 2373 of file cube_function.F90.
| subroutine, public cube_function_oct_m::zsubmesh_to_cube | ( | type(submesh_t), intent(in) | sm, |
| complex(real64), dimension(:), intent(in), target | mf, | ||
| type(cube_t), intent(in) | cube, | ||
| type(cube_function_t), intent(inout) | cf | ||
| ) |
The next two subroutines convert a function between a submesh and the cube.
| [in] | mf | function defined on the submesh. |
Definition at line 2426 of file cube_function.F90.
| subroutine, public cube_function_oct_m::zcube_to_submesh | ( | type(cube_t), intent(in) | cube, |
| type(cube_function_t), intent(in) | cf, | ||
| type(submesh_t), intent(in) | sm, | ||
| complex(real64), dimension(:), intent(out), target | mf | ||
| ) |
| [out] | mf | function defined on the submesh. |
Definition at line 2519 of file cube_function.F90.