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PyXtal_FF v0.1.8
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@qzhu2017 qzhu2017 released this 18 Jun 03:39
· 35 commits to master since this release
v0.1.8
ccd8c81
  • Fix the issue of rdxdr calculation for ACSF and EAMD
  • Full support of zbl
  • Fully consistent results of SO3/SNAP between pyxtal_ff and LAMMPS
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