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add cECPs and pointcharges to AtomCenteredBasisSet Testing with coveralls Report #124: Commit ddab789 pushed by EBB2675
October 9, 2024 13:52 1m 1s 130-atom-centered-basis-set
130-atom-centered-basis-set
October 9, 2024 13:52 1m 1s
add NAO and point charges to basis set types Testing with coveralls Report #123: Commit fbc13f9 pushed by EBB2675
October 8, 2024 11:57 58s 130-atom-centered-basis-set
130-atom-centered-basis-set
October 8, 2024 11:57 58s
reformatted basis_set.py Testing with coveralls Report #122: Commit 1208e88 pushed by EBB2675
October 8, 2024 09:43 1m 1s 130-atom-centered-basis-set
130-atom-centered-basis-set
October 8, 2024 09:43 1m 1s
add type and auxiliary_type quantities to AtomCenteredBasisSet Testing with coveralls Report #121: Commit c7b078a pushed by EBB2675
October 8, 2024 09:38 1m 7s 130-atom-centered-basis-set
130-atom-centered-basis-set
October 8, 2024 09:38 1m 7s
Adding support for coarse-grained models Testing with coveralls Report #120: Commit 4e2b559 pushed by Bernadette-Mohr
October 8, 2024 09:03 1m 9s cg-particle-support
cg-particle-support
October 8, 2024 09:03 1m 9s
Add some methods for the cell (#140) Testing with coveralls Report #119: Commit 8b360d2 pushed by JosePizarro3
October 8, 2024 05:38 1m 1s v0.1.2
v0.1.2
October 8, 2024 05:38 1m 1s
Move _check_implemented outside of PartialOrderElement Testing with coveralls Report #118: Commit 23f5763 pushed by ndaelman-hu
October 7, 2024 17:24 1m 1s extend_equalities
extend_equalities
October 7, 2024 17:24 1m 1s
Fix type annotation Testing with coveralls Report #117: Commit 3c08a87 pushed by ndaelman-hu
October 7, 2024 16:46 1m 7s extend_equalities
extend_equalities
October 7, 2024 16:46 1m 7s
Fix ruff check Testing with coveralls Report #116: Commit 93ca194 pushed by ndaelman-hu
October 7, 2024 16:21 1m 9s extend_equalities
extend_equalities
October 7, 2024 16:21 1m 9s
Fix more mypy errors Testing with coveralls Report #115: Commit 63f6bf5 pushed by ndaelman-hu
October 7, 2024 16:20 54s extend_equalities
extend_equalities
October 7, 2024 16:20 54s
Fix mypy errors Testing with coveralls Report #114: Commit e6f8bfb pushed by ndaelman-hu
October 7, 2024 16:07 50s extend_equalities
extend_equalities
October 7, 2024 16:07 50s
Extend tests with mismatch in position and chemical symbol Testing with coveralls Report #113: Commit 8ad7c72 pushed by ndaelman-hu
October 7, 2024 15:51 1m 17s extend_equalities
extend_equalities
October 7, 2024 15:51 1m 17s
a few small edits (#142) Testing with coveralls Report #112: Commit 6e5719e pushed by JFRudzinski
October 4, 2024 12:45 1m 13s 131-add-mkdocstrings-to-docu
131-add-mkdocstrings-to-docu
October 4, 2024 12:45 1m 13s
a few small edits Testing with coveralls Report #111: Commit a7466cd pushed by JFRudzinski
October 4, 2024 11:24 1m 7s adds_to_131
adds_to_131
October 4, 2024 11:24 1m 7s
more angle progress Testing with coveralls Report #110: Commit 8c0399e pushed by JFRudzinski
October 4, 2024 10:40 1m 0s 113-add-force-field-schema
113-add-force-field-schema
October 4, 2024 10:40 1m 0s
Deleting copyright text Testing with coveralls Report #109: Commit 14b982b pushed by JosePizarro3
October 2, 2024 12:30 1m 16s 100-different-structure-classes
100-different-structure-classes
October 2, 2024 12:30 1m 16s
assign JSON format to basis set Testing with coveralls Report #108: Commit 8866ab7 pushed by EBB2675
October 2, 2024 09:04 1m 8s 130-atom-centered-basis-set
130-atom-centered-basis-set
October 2, 2024 09:04 1m 8s
Rebase and delete copyright notice Testing with coveralls Report #107: Commit 6a7668b pushed by JosePizarro3
October 2, 2024 08:11 1m 7s 100-different-structure-classes
100-different-structure-classes
October 2, 2024 08:11 1m 7s
Merge remote-tracking branch 'origin/develop' into 130-atom-centered-… Testing with coveralls Report #106: Commit a325753 pushed by EBB2675
October 1, 2024 07:08 1m 1s 130-atom-centered-basis-set
130-atom-centered-basis-set
October 1, 2024 07:08 1m 1s
Add some methods for the cell (#140) Testing with coveralls Report #105: Commit 8b360d2 pushed by JosePizarro3
September 30, 2024 07:57 1m 13s develop
develop
September 30, 2024 07:57 1m 13s
Fix get_chemical_symbols Testing with coveralls Report #104: Commit 6772df4 pushed by JosePizarro3
September 30, 2024 07:50 1m 8s 136-add-some-methods-for-the-cell
136-add-some-methods-for-the-cell
September 30, 2024 07:50 1m 8s
Added get_chemical_symbols method and testing Testing with coveralls Report #103: Commit 8f65497 pushed by JosePizarro3
September 27, 2024 12:24 1m 23s 136-add-some-methods-for-the-cell
136-add-some-methods-for-the-cell
September 27, 2024 12:24 1m 23s
Define n_atoms_per_unit_cell for TB model method (#139) Testing with coveralls Report #102: Commit 0b6c6cd pushed by JosePizarro3
September 27, 2024 11:37 59s develop
develop
September 27, 2024 11:37 59s
Add better descriptions Testing with coveralls Report #101: Commit c6e2dbe pushed by JosePizarro3
September 27, 2024 11:35 58s 138-define-n_atoms_per_unit_cell-for-tb-model-method
138-define-n_atoms_per_unit_cell-for-tb-model-method
September 27, 2024 11:35 58s
Changed n_orbitals for 3 more complete quantities Testing with coveralls Report #100: Commit 54d969b pushed by JosePizarro3
September 27, 2024 11:31 1m 0s 138-define-n_atoms_per_unit_cell-for-tb-model-method
138-define-n_atoms_per_unit_cell-for-tb-model-method
September 27, 2024 11:31 1m 0s