v0.4

  • Updated matador dependency PyPI versions > 0.9.

  • Added compute_mode="manual" to just generate structures without relaxing

  • Added GitHub CI

  • Rescale cell volume after crossover to maintain density

  • QoL updates to printing and loading mutations

  • Allow arbitrary ASE calculator to be used in relaxations

v0.3

  • New keyword: sandbagging. When enabled, fitness penalties will be applied to successive sampling of the same region of composition space. By default, the modifier is a multiplicative factor of 0.95 to all compositions within a hypersphere of radius 0.05.

  • compute_mode='slurm' that makes use of array jobs for “infinite” horizontal scalability

  • improved documentation and examples