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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
added zenodo doi (#135) Testing with coveralls Report #99: Commit 001ea5e pushed by JosePizarro3
September 27, 2024 11:26 1m 12s 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 11:26 1m 12s
added zenodo doi (#135) Testing with coveralls Report #98: Commit 001ea5e pushed by JosePizarro3
September 27, 2024 05:07 1m 13s 136-add-some-methods-for-the-cell
136-add-some-methods-for-the-cell
September 27, 2024 05:07 1m 13s
add atoms_state reference to AtomCenteredBasisSet Testing with coveralls Report #97: Commit a204ec4 pushed by EBB2675
September 26, 2024 11:10 1m 18s 130-atom-centered-basis-set
130-atom-centered-basis-set
September 26, 2024 11:10 1m 18s
added zenodo doi (#135) Testing with coveralls Report #96: Commit 001ea5e pushed by JFRudzinski
September 25, 2024 15:48 1m 3s develop
develop
September 25, 2024 15:48 1m 3s
and in the how to cite Testing with coveralls Report #95: Commit a231922 pushed by JFRudzinski
September 25, 2024 14:05 1m 15s add_zenodo_doi
add_zenodo_doi
September 25, 2024 14:05 1m 15s
added zenodo doi Testing with coveralls Report #94: Commit d5179ff pushed by JFRudzinski
September 25, 2024 13:59 1m 2s add_zenodo_doi
add_zenodo_doi
September 25, 2024 13:59 1m 2s
126 minor fixes (#127) Testing with coveralls Report #93: Commit 5d162aa pushed by JosePizarro3
September 25, 2024 13:37 1m 13s v0.1.1
v0.1.1
September 25, 2024 13:37 1m 13s
add a quantity for number of primitives Testing with coveralls Report #92: Commit 0a9d98b pushed by EBB2675
September 25, 2024 13:09 1m 11s 130-atom-centered-basis-set
130-atom-centered-basis-set
September 25, 2024 13:09 1m 11s
add a draft for AtomCenteredFunction Testing with coveralls Report #91: Commit af88624 pushed by EBB2675
September 25, 2024 12:04 1m 9s 130-atom-centered-basis-set
130-atom-centered-basis-set
September 25, 2024 12:04 1m 9s
Added basis_set.md docu page Testing with coveralls Report #90: Commit 7ecbd39 pushed by JosePizarro3
September 25, 2024 10:13 1m 4s 131-add-mkdocstrings-to-docu
131-add-mkdocstrings-to-docu
September 25, 2024 10:13 1m 4s
Merge branch 'develop' into coupled_cluster Testing with coveralls Report #89: Commit bf1f6f4 pushed by EBB2675
September 25, 2024 08:37 59s 130-atom-centered-basis-set
130-atom-centered-basis-set
September 25, 2024 08:37 59s
126 minor fixes (#127) Testing with coveralls Report #88: Commit 5d162aa pushed by JosePizarro3
September 25, 2024 08:15 1m 8s 131-add-mkdocstrings-to-docu
131-add-mkdocstrings-to-docu
September 25, 2024 08:15 1m 8s
Merge branch 'develop' into coupled_cluster Testing with coveralls Report #87: Commit bf1f6f4 pushed by EBB2675
September 25, 2024 08:13 1m 0s coupled_cluster
coupled_cluster
September 25, 2024 08:13 1m 0s
126 minor fixes (#127) Testing with coveralls Report #86: Commit 5d162aa pushed by JosePizarro3
September 25, 2024 06:38 1m 15s develop
develop
September 25, 2024 06:38 1m 15s
Deleted copyright blocks Testing with coveralls Report #85: Commit 8b706dc pushed by JosePizarro3
September 25, 2024 06:35 1m 3s 126-minor-fixes
126-minor-fixes
September 25, 2024 06:35 1m 3s
Restore configuration as it is indeed used Testing with coveralls Report #84: Commit da96737 pushed by JosePizarro3
September 25, 2024 06:19 1m 6s 126-minor-fixes
126-minor-fixes
September 25, 2024 06:19 1m 6s
started angles, started to generalize, e.g., polynomial Testing with coveralls Report #83: Commit d039677 pushed by JFRudzinski
September 24, 2024 18:29 59s 113-add-force-field-schema
113-add-force-field-schema
September 24, 2024 18:29 59s
added cff file for Zenodo publishing (#128) Testing with coveralls Report #82: Commit 349d80f pushed by JFRudzinski
September 24, 2024 13:18 1m 2s develop
develop
September 24, 2024 13:18 1m 2s
formatting Testing with coveralls Report #81: Commit 022c1fa pushed by EBB2675
September 24, 2024 12:32 58s coupled_cluster
coupled_cluster
September 24, 2024 12:32 58s
add main and auxiliary basis set quantities to AtomCenteredBasisSet Testing with coveralls Report #80: Commit d436e95 pushed by EBB2675
September 24, 2024 12:27 1m 1s coupled_cluster
coupled_cluster
September 24, 2024 12:27 1m 1s
updated citation Testing with coveralls Report #79: Commit afe4ab0 pushed by JFRudzinski
September 24, 2024 10:41 57s add_cff_file
add_cff_file
September 24, 2024 10:41 57s