Docs for PYSEQM Driver + LATTE and PYSEQM interfaces are now compatible #13
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Documentation added to the pyseqm driver, and the chemical potential functionality is modified such that it works for PYSEQM without removing any of the new LATTE functionality.
Something that might be a bit more scalable to the inclusion of external codes in the future would be to have LATTE/PYSEQM/EXTERNAL code interfaces implement their own functions for something like get_mu. For now there is just a simple branched logic within the chemical potential computation, and any parameters which are not included by both codes are transferred to keyword arguments. Works well for only a two codes, but will greatly complicate the call signature when more codes are added.