Add optimization methods for GFN2-xTB and AM1#18
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origamimantis wants to merge 2 commits intoMobleyLab:masterfrom
Open
Add optimization methods for GFN2-xTB and AM1#18origamimantis wants to merge 2 commits intoMobleyLab:masterfrom
origamimantis wants to merge 2 commits intoMobleyLab:masterfrom
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This pull request introduces 5 alerts when merging f96c869 into 6351878 - view on LGTM.com new alerts:
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I added separate functions for optimizing with xtb and am1. The other methods should be unaffected.