6 Pull requests merged by 3 people

• JDFTx Inputs - boundary value checking

  #4410 merged May 19, 2025

• to_jdftxinfile method for JDFTXOutfile

  #4408 merged May 16, 2025

• JDFTXInfile addition (__add__) method tweak

  #4407 merged May 15, 2025

• Monoclinic Symmetry Handling Fix

  #4404 merged May 14, 2025

• UFloat update

  #4406 merged May 13, 2025

• Ensure structure symmetrization in OrderDisorderedStructureTransformation

  #4403 merged May 13, 2025

3 Pull requests opened by 3 people

• WIP: Packmol constraints

  #4409 opened May 16, 2025

• Add `orjson` as required dependency as default JSON handler when custom encoder/decoder is not needed

  #4411 opened May 17, 2025

• [WIP] Update VASP outputs.py for more robust piezo and elastic tensor extraction from OUTCAR

  #4412 opened May 19, 2025

1 Issue closed by 1 person

• Symmetrized structures with `no_oxi_states` flag throws error in `OrderDisorderedStructureTransformation`

  #4402 closed May 13, 2025

1 Issue opened by 1 person

• Incorrect conditional in the VASP input.py Kpoints class

  #4405 opened May 13, 2025

3 Unresolved conversations

Sometimes conversations happen on old items that aren’t yet closed. Here is a list of all the Issues and Pull Requests with unresolved conversations.

• `orjson` for much faster JSON operations?

  #4385 commented on May 13, 2025 • 0 new comments

• Draft: Use external Package for FHI-aims IO interface

  #4260 commented on May 13, 2025 • 0 new comments

• Add custom as_dict/from_dict method for proper initialization of attributes of IcohpCollection

  #4391 commented on May 19, 2025 • 0 new comments