Sudarshan Vijay
Sudarshan Vijay
Hi @samblau ! I have added tests for parsing the Fock matrix and eigenvalues through the latest commit. These tests have been added to `test_outputs.py` and `test_sets.py`. Pylint requested changes...
Have added tests for the next input key `extra_scf_print`. Need the pymetgen PR first in order to pass tests.
Hi @Zhuoying - thanks for checking in! I am currently waiting an a related pymatgen PR to get merged (link [here](https://github.com/materialsproject/pymatgen/pull/2562)). Without the pymatgen PR, this current PR will fail...
Hi @ltalirz , I guess the `diff` example is what was the most "useful" when I got started (even though adding two numbers is much simpler). The reason was that...
Absolutely - will write a section on ENVIRON and will add tests! That is a good point, about the stdout. There are a few quantities that could be potentially interesting...
Thanks @janosh for taking a look at this! It appears that all checks pass now.