Version 1.4.1

Important change

EA-vc

• The number of atoms operated on in addition, elimination, and substitution can now be changed. The number is randomly selected up to 3 by default (in 1.4.0, it was always 1).
  • addition
  • elimination
  • substitution
  • Input file > [structure] section

Added

Charge neutral condition

• It is now possible to impose a charge neutrality condition during structure generation in EA-vc.
  • Input file > [structure] section
  • Feaatures > Charge neutrality condition

Subcommand

• cryspy-Eplot: （CrySPY > Features > Re-plot convex hull ）