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added zenodo doi (#135)
Installing and Testing #198: Commit 001ea5e pushed by JosePizarro3
September 27, 2024 11:26 1m 13s
added zenodo doi (#135)
Installing and Testing #197: Commit 001ea5e pushed by JosePizarro3
September 27, 2024 05:07 1m 11s 136-add-some-methods-for-the-cell
September 27, 2024 05:07 1m 11s
add atoms_state reference to AtomCenteredBasisSet
Installing and Testing #196: Commit a204ec4 pushed by EBB2675
September 26, 2024 11:10 1m 5s 130-atom-centered-basis-set
September 26, 2024 11:10 1m 5s
added zenodo doi (#135)
Installing and Testing #195: Commit 001ea5e pushed by JFRudzinski
September 25, 2024 15:48 1m 17s develop
September 25, 2024 15:48 1m 17s
and in the how to cite
Installing and Testing #194: Commit a231922 pushed by JFRudzinski
September 25, 2024 14:05 1m 22s add_zenodo_doi
September 25, 2024 14:05 1m 22s
added zenodo doi
Installing and Testing #193: Commit d5179ff pushed by JFRudzinski
September 25, 2024 13:59 1m 12s add_zenodo_doi
September 25, 2024 13:59 1m 12s
126 minor fixes (#127)
Installing and Testing #192: Commit 5d162aa pushed by JosePizarro3
September 25, 2024 13:37 1m 11s v0.1.1
September 25, 2024 13:37 1m 11s
add a quantity for number of primitives
Installing and Testing #191: Commit 0a9d98b pushed by EBB2675
September 25, 2024 13:09 1m 14s 130-atom-centered-basis-set
September 25, 2024 13:09 1m 14s
add a draft for AtomCenteredFunction
Installing and Testing #190: Commit af88624 pushed by EBB2675
September 25, 2024 12:04 1m 25s 130-atom-centered-basis-set
September 25, 2024 12:04 1m 25s
Added basis_set.md docu page
Installing and Testing #189: Commit 7ecbd39 pushed by JosePizarro3
September 25, 2024 10:13 1m 4s 131-add-mkdocstrings-to-docu
September 25, 2024 10:13 1m 4s
Merge branch 'develop' into coupled_cluster
Installing and Testing #188: Commit bf1f6f4 pushed by EBB2675
September 25, 2024 08:37 1m 8s 130-atom-centered-basis-set
September 25, 2024 08:37 1m 8s
126 minor fixes (#127)
Installing and Testing #187: Commit 5d162aa pushed by JosePizarro3
September 25, 2024 08:15 1m 4s 131-add-mkdocstrings-to-docu
September 25, 2024 08:15 1m 4s
Merge branch 'develop' into coupled_cluster
Installing and Testing #186: Commit bf1f6f4 pushed by EBB2675
September 25, 2024 08:13 1m 11s coupled_cluster
September 25, 2024 08:13 1m 11s
126 minor fixes (#127)
Installing and Testing #185: Commit 5d162aa pushed by JosePizarro3
September 25, 2024 06:38 1m 0s develop
September 25, 2024 06:38 1m 0s
Deleted copyright blocks
Installing and Testing #184: Commit 8b706dc pushed by JosePizarro3
September 25, 2024 06:35 1m 14s 126-minor-fixes
September 25, 2024 06:35 1m 14s
Restore configuration as it is indeed used
Installing and Testing #183: Commit da96737 pushed by JosePizarro3
September 25, 2024 06:19 1m 5s 126-minor-fixes
September 25, 2024 06:19 1m 5s
started angles, started to generalize, e.g., polynomial
Installing and Testing #182: Commit d039677 pushed by JFRudzinski
September 24, 2024 18:29 59s 113-add-force-field-schema
September 24, 2024 18:29 59s
added cff file for Zenodo publishing (#128)
Installing and Testing #181: Commit 349d80f pushed by JFRudzinski
September 24, 2024 13:18 1m 18s develop
September 24, 2024 13:18 1m 18s
formatting
Installing and Testing #180: Commit 022c1fa pushed by EBB2675
September 24, 2024 12:32 1m 16s coupled_cluster
September 24, 2024 12:32 1m 16s
add main and auxiliary basis set quantities to AtomCenteredBasisSet
Installing and Testing #179: Commit d436e95 pushed by EBB2675
September 24, 2024 12:27 1m 41s coupled_cluster
September 24, 2024 12:27 1m 41s
updated citation
Installing and Testing #178: Commit afe4ab0 pushed by JFRudzinski
September 24, 2024 10:41 1m 10s add_cff_file
September 24, 2024 10:41 1m 10s
citation in Readme
Installing and Testing #177: Commit 7e399ba pushed by JFRudzinski
September 24, 2024 10:16 1m 1s add_cff_file
September 24, 2024 10:16 1m 1s
added Alvin
Installing and Testing #176: Commit adeb077 pushed by JFRudzinski
September 24, 2024 10:01 1m 16s add_cff_file
September 24, 2024 10:01 1m 16s
Zenodo badge setup
Installing and Testing #175: Commit 70e20e4 pushed by JFRudzinski
September 24, 2024 09:44 1m 7s add_cff_file
September 24, 2024 09:44 1m 7s