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PyXtal v0.0.6
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@qzhu2017 qzhu2017 released this 18 Aug 05:47
· 1190 commits to master since this release
v0.0.6
44451ce
  • Added the visualization function for both molecular/atomic crystals
  • Added the function of lattice mutation and optimization
  • largely improved the generation of molecular crystal
  • fix the bug of generating molecular crystals occupying the special Wyckoff sites
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