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CrySPY 1.4.2

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@Tomoki-YAMASHITA Tomoki-YAMASHITA released this 18 Jul 09:14
· 2 commits to master since this release
v1.4.2
e572029

[1.4.2] - 2025-7-18

Important change

EA-vc

  • Supports VASP and QE.

Added

  • check_opt in ASE
  • cryspy-skip subcommand
  • cryspy-calc-convex-hull subcommand

Changed

  • Job file auto-rewriting
  • Priority order of structure optimization input file names

Fixed

  • Fixed a bug in mindist check after structure optimization (when structure data could not be obtained correctly)
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