TREX/trexio
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Anthony Scemama 2022-12-27 17:08:49 +01:00
parent 4ed30a3c7a
commit 932e403ad2
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@ -15,6 +15,7 @@ CHANGES
- Added plane wave basis set - Added plane wave basis set
- Added trexio_to_bitfield_list functionality - Added trexio_to_bitfield_list functionality
- Added `trexio_has_group` functionality - Added `trexio_has_group` functionality
- Added numerical integration grid (`grid` group)
- Added OCaml binding - Added OCaml binding
- Added spin and energy in MOs - Added spin and energy in MOs
- Added CSF group - Added CSF group