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PyXtal_FF v0.1.4
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@qzhu2017 qzhu2017 released this 06 Feb 18:19
· 154 commits to master since this release
v0.1.4
7698994
  • add the SNAP option
  • fix a bug in dxdr calculation when self interaction is included
  • dump the weights which can be used by LAMMPS/MLIAP
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