Version 1.4.2

Important change

• EA-vc now supports VASP and QE
• Tutorial > Variable-composition evolutionary algorithm (EA-vc) > VASP (Fe-Al)
• Tutorial > Variable-composition evolutionary algorithm (EA-vc) > QE (Fe-Al)

Added

• Added support for check_opt in ASE
• Subcommand（see also：Features > Skip calculations）
  • cryspy-skip
  • cryspy-calc-convex-hull

Changed

Job file auto-rewriting

• The sed command at the end of the job file is now automatically appended by CrySPY
• Feature > Job file auto-rewriting

Priority order of structure optimization input file names

x is the stage number.

1. x_ase_in.py
2. ase_in.py_x
3. ase_in.py

In previous versions, the second style ase_in.py_x was used.

Fixed

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