Documentation of handling of long-range corrections
requested to merge 322-is-it-possible-to-include-born-effective-charges-when-fitting-the-force-constants into master
Description
This MR adds an example in the "Advanced Topics" section that demonstrates how to handle long-range (Coulomb) contributions to the second-order force constants. The example is provided in the form of a jupyter notebook. The MR includes several smaller changes related to the introduction of a jupyter notebook based example.
- new job in the CI:
test_notebooks
- additions to the docker image:
nbsphinx
,nbmake
(for testing) andpandoc
- removed unused files in the
doc/figures
directory as well as thedoc
root directory
Comments
- I was unable to find a way to add index entries corresponding to the jupyter notebooks. As a result, there are no entries related to "long-range corrections", "Born effective charges" or similar in the index. Note that it is difficult to search for information about "index", it being the default name of practically every starting page on the web. Still I carefully went through the documentation of
nbsphinx
to no avail. I also tried unsuccessfully to come up with a solution via theinclude
directive.
Screenshot
![](/-/project/4157554/uploads/c1ecb13580412076227f809f27452f79/Screenshot_2021-09-13_at_19.45.52.png)
Closes #322 (closed)
Edited by Paul Erhart