Add atomic number guessing based on mass for PSF files.#802
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swails merged 6 commits intoParmEd:masterfrom Feb 16, 2021
Merged
Add atomic number guessing based on mass for PSF files.#802swails merged 6 commits intoParmEd:masterfrom
swails merged 6 commits intoParmEd:masterfrom
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tests wind up *modifying* that parameter set... sigh.
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run jenkins |
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Fixes #798