jonathanjdenney

Hi @mkhorton , I will get to work on your suggestions. Thanks for looking at it.

Hi @mkhorton , I believe I have addressed all of your comments. Please let me know if I missed anything.

@mkhorton No tests were actually removed. I had previously accidentally added a file that was a non-functioning version of the test file which I have now removed.

@mkhorton Hello Matt, Sorry for not getting to your comments sooner, I've had other deadlines. The purpose of including a way to input cifs directly into the script was to...

@janosh Everything on this pull request looks good from my end. Let me know if there are any changes you want me to make.

@janosh I got the tests to work with just one cif that is already in the test files directory. Please let me know if there are other changes you would...

@janosh Sorry, I didn't realize it thinks I changed/added all those files. The ones you highlighted are the only ones I deliberately added. I'm guessing the others are the remnants...

> @janosh Sorry, I didn't realize it thinks I changed/added all those files. The ones you highlighted are the only ones I deliberately added. I'm guessing the others are the...

> @jonathanjdenney I removed all the excess files and gzipped `pymatgen/analysis/fstar/neutron_factors.csv`. The tests look a bit meagre. Maybe you can think of more things to test? E.g. uncovered edge cases?...