CrySPY version 1.4.1

[1.4.1] - 2025-7-7

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).

Added

Charge neutral condition

• It is now possible to impose a charge neutrality condition during structure generation in EA-vc.

Subcommand

• cryspy-Eplot