Skip to content

Commit ab90778

Browse files
authored
Merge pull request #357 from naik-aakash/cli_updates
Cli updates
2 parents 7b36d90 + 24e7190 commit ab90778

File tree

11 files changed

+7371
-415
lines changed

11 files changed

+7371
-415
lines changed

docs/reference/cli.rst

Lines changed: 1 addition & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -9,6 +9,7 @@ CLI Reference
99
cli_subcommands/descriptionquality
1010
cli_subcommands/plotauto
1111
cli_subcommands/plotautoia
12+
cli_subcommands/plotbwdf
1213
cli_subcommands/plotdos
1314
cli_subcommands/ploticohpdistance
1415
cli_subcommands/plot
Lines changed: 15 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,15 @@
1+
plot-bwdf
2+
==========
3+
4+
Plot BWDFs using ICOHPs or ICOOPs or ICOBIs with respect to bond lengths.
5+
6+
.. hint:: Aliases available
7+
8+
- plotbwdf
9+
10+
.. argparse::
11+
:module: lobsterpy.cli
12+
:func: get_parser
13+
:prog: lobsterpy
14+
:path: plot-bwdf
15+

docs/tutorial/commandlineinterface.rst

Lines changed: 12 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -270,6 +270,14 @@ You can plot COHPs/COBIs/COOPs from the command line.
270270
271271
.. image:: tutorial_assets/ICOHPs_distance_example.png
272272

273+
- ``lobsterpy plot-bwdf`` will plot Bond Weighted Distribution function (BWDF) using ICOHPs, ICOOPs or ICOBIs as weights against bond lengths. Example output plot is shown below. For more details on BWDFs check the orignal publication : `https://doi.org/10.1002/anie.201404223 <https://doi.org/10.1002/anie.201404223>`_
274+
275+
.. code:: bash
276+
277+
lobsterpy plot-bwdf
278+
279+
.. image:: tutorial_assets/example_bwdf.png
280+
273281
5. Additional Options
274282
~~~~~~~~~~~~~~~~~~~~~
275283

@@ -297,6 +305,10 @@ either of these commands:
297305
298306
lobsterpy description-quality --help
299307
308+
.. code:: bash
309+
310+
lobsterpy plot-bwdf --help
311+
300312
.. code:: bash
301313
302314
lobsterpy plot-dos --help

0 commit comments

Comments
 (0)