Oskar Weser

icon indicating an email [email protected]

icon company Massachusetts Institute of Technology icon location Cambridge, USA icon location Postdoc in ab initio computational chemistry, working on bootstrap embedding methods.

Results 24 issues of Oskar Weser

Improve documentation building

- [ ] stricter checks - [ ] bibtex # Stricter checks the documentation should be built with stricter error checking ```bash make html SPHINXOPTS="-W --keep-going -n" ``` this should...

maintenance
documentation
good first issue

Implement support for redundant internal coordinates.

- [ ] `get_wilson_B` - [ ] `get_primitive_coordinates` - [ ] `get_redundant_internal_coords`

enhancement

Fail in build because of function present

### Describe the bug I encountered a very strange bug, where the build just stops, that is triggered by commenting in- and out a function that does not even have...

Strange interplay with sphinx-multiversion

5 comment

### Current Behavior When building documentation using `sphinxcontrib-bibtex` together with `sphinx-multiversion`, citations inside Python docstrings (e.g., `:cite:\`...\``) fail with an error such as: ``` docstring of quemb.molbe.fragment.fragmentate:19: WARNING: could not...