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v0.2.0 Released
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@WangXinyan940 WangXinyan940 released this 02 Dec 14:41
· 161 commits to master since this release
v0.2.0
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Learn about vigilant mode.

DMFF v0.2.0 Released!

New features:

  • Support statistical property optimization using differentiable MBAR estimator
  • Support NBFix in Lennard-Jones potential
  • Support assigning parameters based on SMIRKS-pattern
  • Support bond charge correction (BCC) and virtual site
  • Support building neighborlist with freud package
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