Releases: azadoks/aiida-openmx
Releases · azadoks/aiida-openmx
v0.2.0
v0.1.0a0
This release has the absolute minimal functionality for running a basic SCF calculation using OpenMX.
In its current state, it will not work without an unreleased version of aiida-pseudo
!
It includes:
- A barebones
OpenmxCalculation
CalcJob
implementation - Input validation via a limited JSON schema
- No output parser