#include "cp_common_uses.h"
Include dependency graph for realspace_grid_types.f90:
Go to the source code of this file.
Classes | |
| struct | realspace_grid_types::realspace_grid_input_type |
| struct | realspace_grid_types::realspace_grid_desc_type |
| struct | realspace_grid_types::realspace_grid_type |
| struct | realspace_grid_types::realspace_grid_p_type |
| struct | realspace_grid_types::realspace_grid_desc_p_type |
Namespaces | |
| namespace | realspace_grid_types |
Defines | |
| #define | __COLLAPSE3 collapse(3) |
Functions | |
| subroutine, public | realspace_grid_types::init_input_type (input_settings, nsmax, rs_grid_section, ilevel, higher_grid_layout, error) |
| parses an input section to assign the proper values to the input type | |
| INTEGER, public | realspace_grid_types::rs_grid_locate_rank (rs_desc, rank_in, shift) |
| returns the 1D rank of the task which is a cartesian shift away from 1D rank rank_in only possible if rs_grid is a distributed grid | |
| subroutine, public | realspace_grid_types::rs_grid_create_descriptor (desc, pw_grid, input_settings, error) |
| Determine the setup of real space grids - this is divided up into the creation of a descriptor and the actual grid itself (see rs_grid_create) | |
| subroutine, public | realspace_grid_types::rs_grid_create (rs, desc, error) |
| subroutine, public | realspace_grid_types::rs_grid_reorder_ranks (desc, real2virtual, error) |
| Defines a new ordering of ranks on this realspace grid, recalculating the data bounds and reallocating the grid. As a result, each MPI process now has a real rank (i.e. it's rank in the MPI communicator from the pw grid) and a virtual rank (the rank of the process where the data now owned by this process would reside in an ordinary cartesian distribution). NB. Since the grid size required may change, the caller should be sure to release and recreate the corresponding rs_grids The descreal2virtual and descvirtual2real arrays can be used to map a physical rank to the 'rank' of data owned by that process and vice versa. | |
| subroutine, public | realspace_grid_types::rs_grid_print (rs, iounit, error) |
| Print information on grids to output. | |
| subroutine, public | realspace_grid_types::rs_pw_transfer (rs, pw, dir, error) |
| Copy a function from/to a PW grid type to/from a real space type dir is the named constant rs2pw or pw2rs. | |
| subroutine | realspace_grid_types::rs_pw_transfer_replicated (rs, pw, dir, error) |
| transfer from a realspace grid to a planewave grid or the other way around | |
| subroutine | realspace_grid_types::rs_pw_transfer_distributed (rs, pw, dir, error) |
| does the rs2pw and pw2rs transfer in the case where the rs grid is distributed (3D domain decomposition) | |
| subroutine, public | realspace_grid_types::rs_grid_zero (rs) |
| Initialize grid to zero. | |
| subroutine, public | realspace_grid_types::rs_grid_mult_and_add (rs1, rs2, rs3, scalar) |
| rs1(i) = rs1(i) + rs2(i)*rs3(i) | |
| subroutine, public | realspace_grid_types::rs_grid_set_box (pw_grid, rs, error) |
| Set box matrix info for real space grid This is needed for variable cell simulations. | |
| subroutine, public | realspace_grid_types::rs_grid_retain (rs_grid, error) |
| retains the given rs grid (see doc/ReferenceCounting.html) | |
| subroutine, public | realspace_grid_types::rs_grid_retain_descriptor (rs_desc, error) |
| retains the given rs grid descriptor (see doc/ReferenceCounting.html) | |
| subroutine, public | realspace_grid_types::rs_grid_release (rs_grid, error) |
| releases the given rs grid (see doc/ReferenceCounting.html) | |
| subroutine, public | realspace_grid_types::rs_grid_release_descriptor (rs_desc, error) |
| releases the given rs grid descriptor (see doc/ReferenceCounting.html) | |
| subroutine | realspace_grid_types::cart_shift (rs_grid, dir, disp, source, dest) |
| emulates the function of an MPI_cart_shift operation, but the shift is done in virtual coordinates, and the corresponding real ranks are returned | |
| INTEGER, public | realspace_grid_types::rs_grid_max_ngpts (desc) |
| returns the maximum number of points in the local grid of any process to account for the case where the grid may later be reordered | |
Variables | |
| LOGICAL, parameter, private | realspace_grid_types::debug_this_module = .FALSE. |
| CHARACTER(len=*), parameter, private | realspace_grid_types::moduleN = 'realspace_grid_types' |
| INTEGER, save, private | realspace_grid_types::last_rs_id = 0 |
| INTEGER, save, private | realspace_grid_types::allocated_rs_grid_count = 0 |
| INTEGER, parameter, public | realspace_grid_types::rs2pw = 11 |
| INTEGER, parameter, public | realspace_grid_types::pw2rs = 12 |
Define Documentation
| #define __COLLAPSE3 collapse(3) |
