Co Quach

Results 33 comments of Co Quach

I tried this on my local and confirm the behavior shown above. I will into this and see what cause the difference.

Updates: I think the issue is with how `conda` and `mamba` solve package constraint. - When I called `conda install pydantic` and `mamba install pydantic`, both result in the latest...

Raised an issue with [conda](https://github.com/conda/conda-libmamba-solver/issues/115)

I agree with dropping python 3.7, I think we bumped into that issue not long ago with unyt dropping 3.7 in their latest release. Currently, it looks like the test...

Hi @bkpgh, currently I don't think it is possible to have multiple definitions for a single atom type. This is because there are some steps in constructing the force field,...

Thank you for your example @bkpgh! These seems very reasonable and definitely our team can work on to make the XML more accessible and readable by human!

Usually, we only expect improper parameters for ring structure, so for the molecule you have above, that may be necessary. Unfortunately, I don't think our current `oplsaa.xml` has any impropers...

So the issue with the bleeding test has to do with the python version specified. When updating the env with specs from foyer/gmso env.yml, the python version got updated to...