Octopus
cube_oct_m::cube_t Type Reference

Detailed Description

Definition at line 153 of file cube.F90.

Private Attributes

logical parallel_in_domains
 will the cube be divided in domains? More...
 
type(mpi_grp_tmpi_grp
 the mpi group describing parallelization in domains More...
 
integer, dimension(1:3) rs_n_global
 the dimensions of the cube in real space More...
 
integer, dimension(1:3) fs_n_global
 the dimensions of the cube in fourier space More...
 
integer, dimension(1:3) rs_n
 the dimensions of the local portion of the cube in real space More...
 
integer, dimension(1:3) fs_n
 the dimensions of the local portion of the cube in fourier space More...
 
integer, dimension(1:3) rs_istart
 where does the local portion of the cube start in real space More...
 
integer, dimension(1:3) fs_istart
 where does the local portion of the cube start in fourier space More...
 
integer, dimension(1:3) center
 the coordinates of the center of the cube More...
 
integer, dimension(:), allocatable fs_ifx
 Map local cube index in Fourier space [1:fs_n(1)] to integer FFT frequencies. More...
 
integer, dimension(:), allocatable fs_ify
 Map local cube index in Fourier space [1:fs_n(2)] to integer FFT frequencies. More...
 
integer, dimension(:), allocatable fs_ifz
 Map local cube index [in Fourier space 1:fs_n(3)] to integer FFT frequencies. More...
 
real(real64), dimension(:,:), allocatable lrs
 The real space coordinates vector: Lrs(i,{1,2,3})={x,y,z}(i) More...
 
real(real64), dimension(:,:), allocatable lfs
 The fourier space coordinates vector: Lfs(i,{1,2,3})={kx,ky,kz}(i) More...
 
integer, dimension(:), allocatable np_local
 Number of points in each partition. More...
 
integer, dimension(:), allocatable xlocal
 where does each process start when gathering a function More...
 
integer, dimension(:,:), allocatable local
 local to global map used when gathering a function More...
 
integer, dimension(:), allocatable np_local_fs
 Number of points in each fs partition. More...
 
integer, dimension(:), allocatable xlocal_fs
 where does each process start when gathering a fs function More...
 
integer, dimension(:,:), allocatable local_fs
 local to global map used when gathering a fs function More...
 
type(fft_t), allocatable fft
 the fft object More...
 
logical, private has_cube_mapping = .false.
 Saves if a mapping with the cube is needed. Until now, is needed with par_states (without par_domains) and PES. More...
 
real(real64), dimension(3) spacing
 
type(lattice_vectors_t), allocatable latt
 
type(mesh_cube_map_tcube_map
 
logical cube_map_present = .false.
 
integer batch_capacity
 Allocated batch extent (max cube functions held in memory at once) More...
 

Member Data Documentation

◆ parallel_in_domains

logical cube_oct_m::cube_t::parallel_in_domains
private

will the cube be divided in domains?

Definition at line 155 of file cube.F90.

◆ mpi_grp

type(mpi_grp_t) cube_oct_m::cube_t::mpi_grp
private

the mpi group describing parallelization in domains

Definition at line 156 of file cube.F90.

◆ rs_n_global

integer, dimension(1:3) cube_oct_m::cube_t::rs_n_global
private

the dimensions of the cube in real space

Definition at line 158 of file cube.F90.

◆ fs_n_global

integer, dimension(1:3) cube_oct_m::cube_t::fs_n_global
private

the dimensions of the cube in fourier space

Definition at line 159 of file cube.F90.

◆ rs_n

integer, dimension(1:3) cube_oct_m::cube_t::rs_n
private

the dimensions of the local portion of the cube in real space

Definition at line 160 of file cube.F90.

◆ fs_n

integer, dimension(1:3) cube_oct_m::cube_t::fs_n
private

the dimensions of the local portion of the cube in fourier space

Definition at line 161 of file cube.F90.

◆ rs_istart

integer, dimension(1:3) cube_oct_m::cube_t::rs_istart
private

where does the local portion of the cube start in real space

Definition at line 162 of file cube.F90.

◆ fs_istart

integer, dimension(1:3) cube_oct_m::cube_t::fs_istart
private

where does the local portion of the cube start in fourier space

Definition at line 163 of file cube.F90.

◆ center

integer, dimension(1:3) cube_oct_m::cube_t::center
private

the coordinates of the center of the cube

Definition at line 164 of file cube.F90.

◆ fs_ifx

integer, dimension(:), allocatable cube_oct_m::cube_t::fs_ifx
private

Map local cube index in Fourier space [1:fs_n(1)] to integer FFT frequencies.

Definition at line 166 of file cube.F90.

◆ fs_ify

integer, dimension(:), allocatable cube_oct_m::cube_t::fs_ify
private

Map local cube index in Fourier space [1:fs_n(2)] to integer FFT frequencies.

Definition at line 167 of file cube.F90.

◆ fs_ifz

integer, dimension(:), allocatable cube_oct_m::cube_t::fs_ifz
private

Map local cube index [in Fourier space 1:fs_n(3)] to integer FFT frequencies.

Definition at line 168 of file cube.F90.

◆ lrs

real(real64), dimension(:,:), allocatable cube_oct_m::cube_t::lrs
private

The real space coordinates vector: Lrs(i,{1,2,3})={x,y,z}(i)

Definition at line 170 of file cube.F90.

◆ lfs

real(real64), dimension(:,:), allocatable cube_oct_m::cube_t::lfs
private

The fourier space coordinates vector: Lfs(i,{1,2,3})={kx,ky,kz}(i)

Definition at line 171 of file cube.F90.

◆ np_local

integer, dimension(:), allocatable cube_oct_m::cube_t::np_local
private

Number of points in each partition.

Definition at line 173 of file cube.F90.

◆ xlocal

integer, dimension(:), allocatable cube_oct_m::cube_t::xlocal
private

where does each process start when gathering a function

Definition at line 174 of file cube.F90.

◆ local

integer, dimension(:,:), allocatable cube_oct_m::cube_t::local
private

local to global map used when gathering a function

Definition at line 175 of file cube.F90.

◆ np_local_fs

integer, dimension(:), allocatable cube_oct_m::cube_t::np_local_fs
private

Number of points in each fs partition.

Definition at line 176 of file cube.F90.

◆ xlocal_fs

integer, dimension(:), allocatable cube_oct_m::cube_t::xlocal_fs
private

where does each process start when gathering a fs function

Definition at line 177 of file cube.F90.

◆ local_fs

integer, dimension(:,:), allocatable cube_oct_m::cube_t::local_fs
private

local to global map used when gathering a fs function

Definition at line 178 of file cube.F90.

◆ fft

type(fft_t), allocatable cube_oct_m::cube_t::fft
private

the fft object

Definition at line 181 of file cube.F90.

◆ has_cube_mapping

logical, private cube_oct_m::cube_t::has_cube_mapping = .false.
private

Saves if a mapping with the cube is needed. Until now, is needed with par_states (without par_domains) and PES.

Definition at line 182 of file cube.F90.

◆ spacing

real(real64), dimension(3) cube_oct_m::cube_t::spacing
private

Definition at line 185 of file cube.F90.

◆ latt

type(lattice_vectors_t), allocatable cube_oct_m::cube_t::latt
private

Definition at line 187 of file cube.F90.

◆ cube_map

type(mesh_cube_map_t) cube_oct_m::cube_t::cube_map
private

Definition at line 189 of file cube.F90.

◆ cube_map_present

logical cube_oct_m::cube_t::cube_map_present = .false.
private

Definition at line 190 of file cube.F90.

◆ batch_capacity

integer cube_oct_m::cube_t::batch_capacity
private

Allocated batch extent (max cube functions held in memory at once)

Definition at line 191 of file cube.F90.


The documentation for this type was generated from the following file: