Variable-Composition Evolutionary Algorithm (EA-vc)
Info
- For the basic usage of CrySPY, start by referring to CrySPY > Tutorial > Random Search (RS).
- For the basic usage of EA, start by referring to CrySPY > Tutorial > Evolutionary algorithm (EA).
- For details of the algorithm, refer to CrySPY > Search algorithms > Variable-composition Evolutionary algorithm (EA-vc).
Info
System requirements
- CrySPY 1.4.0 or later
- For interface compatibility, see CrySPY > Interface.
Preparation of Input Files
Follow one of the instructions below, then proceed to the section on running CrySPY.
To impose a charge neutrality condition, specify charge in the [structure] section of cryspy.in. See Features > Charge neutrality condition for details.
To restrict the composition range explored by the search, specify min_comp and max_comp in the [structure] section of cryspy.in (version 1.5.0 or later). These constraints can also be combined with charge neutrality. See Features > Composition Constraints for details.