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@zooks97 zooks97 released this 15 Feb 22:09
· 43 commits to main since this release
v0.1.0a0
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Learn about vigilant mode.

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
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