[Octopus-devel] Fwd: [Octopus-notify] svn commit: r8577 - in trunk/src: td by joseba

Thu Nov 17 19:25:17 WET 2011

The mailing list doesn't like my message because it was too long. I have
abbreviated it below.

---------- Forwarded message ----------
From: David Strubbe <dstrubbe at berkeley.edu>
Date: Thu, Nov 17, 2011 at 11:21 AM
Subject: Re: [Octopus-notify] svn commit: r8577 - in trunk/src: td by joseba
To: Octopus-devel at tddft.org

Joseba,

If you grep for '!>' you will find a lot of other instances in the code.
Should they be changed too?

David

src/basic/multicomm.F90:22:!> Given a number n_index of indices and their
ranges index_range(1:n_index),
src/basic/multicomm.F90:107:  !> Stores all communicators and groups
src/basic/multicomm.F90:132:  !> An all-pairs communication schedule for a
given group.
src/basic/multicomm.F90:159:  !> create index and domain communicators
src/basic/multicomm.F90:425:    !> check if a balanced distribution of
nodes will be used
src/basic/multicomm.F90:698:  !> This routine uses the one-factorization
(or near-one-factorization
src/basic/multicomm.F90:796:  !> Function to divide the range of numbers
from 1 to nobjs
src/basic/multicomm.F90:873:  !> Function to divide the range of numbers
from 1 to nobjs
src/basic/command_line.F90:211:  !> Initializes the getopt machinery. Must
be called before attempting
src/basic/blacs_proc_grid.F90:68:  !> Initializes a blacs context from an
MPI communicator with
src/basic/blacs.F90:23:!> This module contains interfaces for BLACS routines
src/basic/unit_system.F90:24:!> Atomic weights should be read in "atomic
mass units" (u) (not to
src/basic/unit_system.F90:228:  !> These routines output the
unit-conversion factors, defined by
src/basic/unit_system.F90:322:  !> This is a very primitive procedure that
attempts to find out
src/basic/profiling.F90:22:  !>/* To use the profiling module you simply
have to define a
src/basic/profiling.F90:194:  !> Create profiling subdirectory.
src/basic/profiling.F90:399:  !> Initialize a profile object and add it to
the list
src/basic/profiling.F90:455:  !> Increment in counter and save entry time.
src/basic/profiling.F90:503:  !> Increment out counter and sum up
difference between entry
src/basic/profiling.F90:757:  !> Write profiling results of each node to
profiling.NNN/profiling.nnn
src/basic/topology.F90:22:!> Given a number n_index of indices and their
ranges index_range(1:n_index),
src/basic/topology.F90:78:    !> this routine tries to guess the
distribution of the processors
src/basic/calc_mode.F90:81:    !> Defines that the current run mode
requires division of states
src/basic/calc_mode.F90:89:    !> Whether the current run mode requires
divisions compatible with
src/basic/mpi_lib_inc.F90:22:!> Every node has incount (may vary from node
to node) items (in
src/grid/mesh_batch_inc.F90:498:!> This functions exchanges points of a
mesh according to a certain
src/grid/cube.F90:219:  !> True if global coordinates belong to this
process. On output
src/grid/cube.F90:220:  !> lxyz contains the local coordinates
src/grid/cube.F90:236:  !> do the mapping between global and local points
of the cube
src/grid/mesh_cube_map.F90:49:  !>  DOCUMENTATION NEEDED
src/grid/mesh_partition.F90:61:  !> Converts the mesh given by grid points
into a graph. Each
src/grid/fourier_space_inc.F90:59:!> The following routines convert the
function between real space and Fourier space
src/grid/fourier_space_inc.F90:190:!> The next two subroutines convert a
function in Fourier space
src/grid/derivatives.F90:111:    !> If the so-called variational
discretization is used, this controls a
src/grid/derivatives.F90:301:  !> Returns maximum extension of the stencil
in spatial direction
src/grid/derivatives.F90:351:  !> Returns the diagonal elements of the
Laplacian, needed for preconditioning
src/grid/batch.F90:105:    !> We also need a linear array with the states
in order to calculate derivatives, etc.
src/grid/batch.F90:109:    !> If the memory is contiguous, we can perform
some operations faster.
src/grid/batch.F90:281:  !> When we are interested in batches of 1D
functions
src/grid/batch.F90:406:  !> THREADSAFE
src/grid/batch.F90:415:  !> THREADSAFE
src/grid/boundaries_inc.F90:21:!> Updates ghost points of every node. A
vector suitable
src/grid/cube_function_inc.F90:101:!> The next two subroutines convert a
function between the normal
src/grid/cube_function_inc.F90:263:!> The next two subroutines convert a
function between the normal
src/grid/mesh_init.F90:486:!> When running parallel in domains, stencil and
np_stencil
src/grid/mesh_init.F90:829:  !> calculate the volume of integration
src/grid/par_vec_inc.F90:20:!> Generally:
src/grid/par_vec_inc.F90:87:!> v_local has to be of length
np_local+np_ghost+np_bndry
src/grid/par_vec_inc.F90:154:!> Reverse operation of Xvec_scatter.
src/grid/par_vec_inc.F90:205:!> Like Xvec_gather but the result is gathered
src/grid/par_vec_inc.F90:248:!> This function collects points from the
array src in nodes and puts
src/grid/mesh.F90:73:  !> Describes mesh distribution to nodes.
src/grid/mesh.F90:110:  !> This data type defines a plane, and a regular
grid defined on
src/grid/mesh.F90:126:  !> This data type defines a line, and a regular
grid defined on this
src/grid/mesh.F90:150:  !> finds the dimension of a box doubled in the
non-periodic dimensions
src/grid/mesh.F90:232:  !> Finds out if a given point of a mesh belongs to
the "border" of the
src/grid/mesh.F90:334:  !> Returns the index of the point which is nearest
to a given vector
src/grid/mesh.F90:414:  !> mesh_gcutoff returns the "natural" band
limitation of the
src/grid/mesh.F90:450:  !> Read the mesh parameters from file that were
written by mesh_dump.
src/grid/mesh.F90:560:  !> Fill the lxyz and lxyz_inv arrays from a file
src/grid/mesh.F90:592:  !> Extracts the point numbers of a rectangular
subset spanned
src/grid/mesh.F90:639:  !> Checks if the (x, y, z) indices of point are
valid, i.e.
src/grid/grid.F90:79:  !>

... etc.

On Thu, Nov 17, 2011 at 3:39 AM, <octopus-svn at tddft.org> wrote:

>      Author: joseba
>        Date: Thu Nov 17 11:39:01 2011
> New Revision: 8577
>   Changeset: http://www.tddft.org/trac/octopus/changeset/8577
>
> Modified:
>   trunk/src/basic/multicomm.F90
>   trunk/src/td/pes.F90
>
> Log:
> * Initilized the rank, if is called without OpenMP
> * Added and corrected documentation. With doxygen the "<" or ">" has to
> point to the source is documenting
>
>
> _______________________________________________
> Octopus-notify mailing list
> Octopus-notify at tddft.org
> http://www.tddft.org/mailman/listinfo/octopus-notify
>
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