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Better validation of XML files

Open mattwthompson opened this issue 6 years ago • 0 comments

We should try to avoid bugs like #221 by checking that type's masses are similar to the atomic mass of the element. This would be limited to atomistic systems.

I'm also adding the validation tag because it seems like we had a lot of discussions related to validating various steps of the process - pre-processing XML files, validating the atomtyping process, checking the results

mattwthompson avatar Mar 12 '19 22:03 mattwthompson