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Fix elements of created atoms #195

Merged
merged 1 commit into from
Jun 9, 2021
Merged

Fix elements of created atoms #195

merged 1 commit into from
Jun 9, 2021

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stefdoerr
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I don't like much this approach since there can exist atoms in some FFs which don't have the element as the first letter. But the real fix would require storing the elements in the FF files and would require more refactoring. In any case this fixes issue
#193

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@sobolevnrm sobolevnrm left a comment

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Thanks!

@intendo intendo merged commit 9b71590 into Electrostatics:master Jun 9, 2021
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3 participants