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proteneer / timemachine

Differentiate all the things!
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Move switch_fn to attic, add norm'd switch_fn_2 #1285

Closed maxentile closed 4 months ago

maxentile commented 5 months ago

Move switch_fn from nonbonded.py to attic.

Doesn't have expected boundary conditions when cutoff != 1.0, and is unused (only usages were in commented-out code when introduced in https://github.com/proteneer/timemachine/pull/205 ).

Possible normalization suggested, but untested

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maxentile commented 4 months ago

Will be superseded