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Move _check_implemented outside of PartialOrderElement
Installing and Testing #235: Commit ad29fa0 pushed by ndaelman-hu
October 15, 2024 11:52 1m 18s extend_equalities
October 15, 2024 11:52 1m 18s
working on CG schema
Installing and Testing #234: Commit 9508fd9 pushed by Bernadette-Mohr
October 14, 2024 15:47 57s cg-particle-support
October 14, 2024 15:47 57s
a bit of a cleanup
Installing and Testing #233: Commit c94e995 pushed by EBB2675
October 14, 2024 09:08 1m 3s 130-atom-centered-basis-set
October 14, 2024 09:08 1m 3s
working on CG schema
Installing and Testing #232: Commit beb7a8b pushed by Bernadette-Mohr
October 11, 2024 13:28 57s cg-particle-support
October 11, 2024 13:28 57s
fix point charge Quantity type
Installing and Testing #231: Commit 8c6ae1a pushed by EBB2675
October 11, 2024 12:55 1m 3s 130-atom-centered-basis-set
October 11, 2024 12:55 1m 3s
Add ! comments for asking Alvin
Installing and Testing #230: Commit 2d7c4a9 pushed by JosePizarro3
October 10, 2024 10:15 1m 37s 100-trying-restructured-workflows
October 10, 2024 10:15 1m 37s
Fix resolve_inputs_outputs
Installing and Testing #229: Commit f337b73 pushed by JosePizarro3
October 10, 2024 10:10 1m 46s 100-trying-restructured-workflows
October 10, 2024 10:10 1m 46s
Improved schema with new workflow base sections
Installing and Testing #228: Commit 7f46488 pushed by JosePizarro3
October 10, 2024 10:03 1m 52s 100-trying-restructured-workflows
October 10, 2024 10:03 1m 52s
Improved schema with new workflow base sections
Installing and Testing #227: Commit 2cf0f99 pushed by JosePizarro3
October 10, 2024 09:57 1m 45s 100-trying-restructured-workflows
October 10, 2024 09:57 1m 45s
Improved schema with new workflow base sections
Installing and Testing #226: Commit 447535d pushed by JosePizarro3
October 10, 2024 09:55 24s 100-trying-restructured-workflows
October 10, 2024 09:55 24s
Improved schema with new workflow base sections
Installing and Testing #225: Commit 0732ea7 pushed by JosePizarro3
October 10, 2024 08:35 1m 45s 100-trying-restructured-workflows
October 10, 2024 08:35 1m 45s
Added comments
Installing and Testing #224: Commit ad055ee pushed by JosePizarro3
October 10, 2024 08:04 1m 5s 100-different-structure-classes
October 10, 2024 08:04 1m 5s
add cECPs and pointcharges to AtomCenteredBasisSet
Installing and Testing #223: Commit ddab789 pushed by EBB2675
October 9, 2024 13:52 1m 11s 130-atom-centered-basis-set
October 9, 2024 13:52 1m 11s
add NAO and point charges to basis set types
Installing and Testing #222: Commit fbc13f9 pushed by EBB2675
October 8, 2024 11:57 1m 10s 130-atom-centered-basis-set
October 8, 2024 11:57 1m 10s
reformatted basis_set.py
Installing and Testing #221: Commit 1208e88 pushed by EBB2675
October 8, 2024 09:43 1m 11s 130-atom-centered-basis-set
October 8, 2024 09:43 1m 11s
add type and auxiliary_type quantities to AtomCenteredBasisSet
Installing and Testing #220: Commit c7b078a pushed by EBB2675
October 8, 2024 09:38 1m 11s 130-atom-centered-basis-set
October 8, 2024 09:38 1m 11s
Adding support for coarse-grained models
Installing and Testing #219: Commit 4e2b559 pushed by Bernadette-Mohr
October 8, 2024 09:03 1m 21s cg-particle-support
October 8, 2024 09:03 1m 21s
Add some methods for the cell (#140)
Installing and Testing #218: Commit 8b360d2 pushed by JosePizarro3
October 8, 2024 05:38 1m 8s v0.1.2
October 8, 2024 05:38 1m 8s
Move _check_implemented outside of PartialOrderElement
Installing and Testing #217: Commit 23f5763 pushed by ndaelman-hu
October 7, 2024 17:24 1m 23s extend_equalities
October 7, 2024 17:24 1m 23s
Fix type annotation
Installing and Testing #216: Commit 3c08a87 pushed by ndaelman-hu
October 7, 2024 16:46 1m 4s extend_equalities
October 7, 2024 16:46 1m 4s
Fix ruff check
Installing and Testing #215: Commit 93ca194 pushed by ndaelman-hu
October 7, 2024 16:21 57s extend_equalities
October 7, 2024 16:21 57s
Fix more mypy errors
Installing and Testing #214: Commit 63f6bf5 pushed by ndaelman-hu
October 7, 2024 16:20 1m 6s extend_equalities
October 7, 2024 16:20 1m 6s
Fix mypy errors
Installing and Testing #213: Commit e6f8bfb pushed by ndaelman-hu
October 7, 2024 16:07 48s extend_equalities
October 7, 2024 16:07 48s
Extend tests with mismatch in position and chemical symbol
Installing and Testing #212: Commit 8ad7c72 pushed by ndaelman-hu
October 7, 2024 15:51 1m 23s extend_equalities
October 7, 2024 15:51 1m 23s
a few small edits (#142)
Installing and Testing #211: Commit 6e5719e pushed by JFRudzinski
October 4, 2024 12:45 1m 13s 131-add-mkdocstrings-to-docu
October 4, 2024 12:45 1m 13s