Octopus
cube_function.F90
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1!! Copyright (C) 2002-2011 M. Marques, A. Castro, A. Rubio, G. Bertsch, M. Oliveira
2!!
3!! This program is free software; you can redistribute it and/or modify
4!! it under the terms of the GNU General Public License as published by
5!! the Free Software Foundation; either version 2, or (at your option)
6!! any later version.
7!!
8!! This program is distributed in the hope that it will be useful,
9!! but WITHOUT ANY WARRANTY; without even the implied warranty of
10!! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
11!! GNU General Public License for more details.
12!!
13!! You should have received a copy of the GNU General Public License
14!! along with this program; if not, write to the Free Software
15!! Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
16!! 02110-1301, USA.
17!!
18
19#include "global.h"
20
22 use accel_oct_m
23 use comm_oct_m
24 use cube_oct_m
25 use debug_oct_m
26 use fft_oct_m
27 use global_oct_m
29 use math_oct_m
30 use mesh_oct_m
34 use mpi_oct_m
41 use types_oct_m
42
43 implicit none
44 private
45 public :: &
67
69 ! Components are public by default
70 real(real64), pointer, contiguous :: dRS(:, :, :) => null()
71 complex(real64), pointer, contiguous :: zRS(:, :, :) => null()
72 complex(real64), pointer, contiguous :: FS(:, :, :) => null()
73 logical :: forced_alloc = .false.
74 logical :: in_device_memory = .false.
75 type(accel_mem_t) :: real_space_buffer
76 type(accel_mem_t) :: fourier_space_buffer
77 end type cube_function_t
78
79contains
80
81 ! ---------------------------------------------------------
87 pure logical function cube_map_is_trivial(cube) result(trivial)
88 type(cube_t), intent(in) :: cube
89 trivial = cube%cube_map_present .and. allocated(cube%cube_map%map)
90 if (.not. trivial) return
91 ! is_trivial captures the mesh-side property; the additional checks
92 ! verify the cube dimensions match the mesh and the cube origin aligns
93 ! so that mesh point 1 lands at cube cell (1, 1, 1).
94 trivial = cube%cube_map%is_trivial .and. &
95 cube%cube_map%nmap == cube%rs_n(2) * cube%rs_n(3) .and. &
96 cube%cube_map%map(mcm_count, 1) == cube%rs_n(1) .and. &
97 cube%cube_map%map(1, 1) + cube%center(1) == 1 .and. &
98 cube%cube_map%map(2, 1) + cube%center(2) == 1 .and. &
99 cube%cube_map%map(3, 1) + cube%center(3) == 1
100 end function cube_map_is_trivial
101
102#include "undef.F90"
103#include "real.F90"
104#include "cube_function_inc.F90"
105
106#include "undef.F90"
107#include "complex.F90"
108#include "cube_function_inc.F90"
109
110end module cube_function_oct_m
111
112
113!! Local Variables:
114!! mode: f90
115!! coding: utf-8
116!! End:
real(real64) function, public dcube_function_surface_average(cube, cf)
This function calculates the surface average of any function.
subroutine, public zmesh_to_cube(mesh, mf, cube, cf)
Convert a function from the mesh to the cube.
complex(real64) function, public zcube_function_surface_average(cube, cf)
This function calculates the surface average of any function.
subroutine, public dmesh_to_cube(mesh, mf, cube, cf)
Convert a function from the mesh to the cube.
subroutine, public dcube_to_submesh(cube, cf, sm, mf)
subroutine, public dcube_to_mesh(cube, cf, mesh, mf)
Convert a function from the cube to the mesh.
subroutine, public dcube_function_allgather(cube, cf, cf_local, order, gatherfs)
subroutine, public zcube_to_mesh_parallel(cube, cf, mesh, mf, map)
subroutine, public zcube_to_mesh(cube, cf, mesh, mf)
Convert a function from the cube to the mesh.
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 re...
subroutine, public zcube_to_submesh(cube, cf, sm, mf)
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.
subroutine, public dcube_function_free_rs(cube, cf)
Deallocates the real space grid.
subroutine, public dsubmesh_to_cube(sm, mf, cube, cf)
The next two subroutines convert a function between a submesh and the cube.
subroutine, public zsubmesh_to_cube(sm, mf, cube, cf)
The next two subroutines convert a function between a submesh and the cube.
subroutine, public zcube_function_allgather(cube, cf, cf_local, order, gatherfs)
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.
subroutine, public zcube_function_free_rs(cube, cf)
Deallocates the real space grid.
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...
subroutine, public dcube_to_mesh_parallel(cube, cf, mesh, mf, map)
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 re...
Fast Fourier Transform module. This module provides a single interface that works with different FFT ...
Definition: fft.F90:120
This module is intended to contain "only mathematical" functions and procedures.
Definition: math.F90:117
integer, parameter, public mcm_count
This module defines the meshes, which are used in Octopus.
Definition: mesh.F90:120
Some general things and nomenclature:
Definition: par_vec.F90:173
This module is an helper to perform ring-pattern communications among all states.