Zamaan Raza
Zamaan Raza
I think the stability is more an artifact of the Parinello-Rahman formalism, and the best way to improve it is to carefully choose the barostat and thermostat relaxation times, `MD.tauP`...
Probably an unpopular idea, but how about cmake? It's a pain to set up, but offers a pretty frictionless set up for people who aren't used to dealing with this...
Some general comments: 1. Modified files are not added to the pacckage generated on the CI server. Could this be a result of not including the `__init__.py` file? 2. I...
New changes look good, but there's a new issue: 1. `plot options` -> `change d-spacings` -> change the values, accept 2. `plot options` -.> `change omega offset` -> change values,...