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Add calc minimize
Preview Release #76: Pull request #29 synchronize by samwaseda
December 9, 2024 09:30 50s add_calc_minimize
December 9, 2024 09:30 50s
Add calc minimize
Preview Release #75: Pull request #29 opened by samwaseda
December 9, 2024 09:25 1m 10s add_calc_minimize
December 9, 2024 09:25 1m 10s
Actual correct spin
Preview Release #74: Pull request #28 synchronize by samwaseda
December 6, 2024 17:41 41s actual_correct_spin
December 6, 2024 17:41 41s
Actual correct spin
Preview Release #73: Pull request #28 synchronize by samwaseda
December 6, 2024 17:40 46s actual_correct_spin
December 6, 2024 17:40 46s
Actual correct spin
Preview Release #72: Pull request #28 synchronize by samwaseda
December 6, 2024 17:31 47s actual_correct_spin
December 6, 2024 17:31 47s
Actual correct spin
Preview Release #71: Pull request #28 opened by samwaseda
December 6, 2024 17:11 47s actual_correct_spin
December 6, 2024 17:11 47s
Refactor code
Preview Release #70: Pull request #27 synchronize by samwaseda
December 6, 2024 14:57 38s correct_spin
December 6, 2024 14:57 38s
Refactor code
Preview Release #69: Pull request #27 synchronize by samwaseda
December 6, 2024 14:41 43s correct_spin
December 6, 2024 14:41 43s
Refactor code
Preview Release #68: Pull request #27 synchronize by samwaseda
December 6, 2024 14:37 37s correct_spin
December 6, 2024 14:37 37s
Refactor code
Preview Release #67: Pull request #27 opened by samwaseda
December 6, 2024 14:36 1m 13s correct_spin
December 6, 2024 14:36 1m 13s
Extract the Hubbard U orbital occupation number
Preview Release #66: Pull request #26 opened by CharlesChenME
December 5, 2024 15:09 54s CharlesChenME:HubbardU
December 5, 2024 15:09 54s
Create jobs
Preview Release #65: Pull request #25 synchronize by samwaseda
December 5, 2024 10:38 44s create_jobs
December 5, 2024 10:38 44s
Create jobs
Preview Release #64: Pull request #25 synchronize by samwaseda
December 5, 2024 09:33 45s create_jobs
December 5, 2024 09:33 45s
Create jobs
Preview Release #63: Pull request #25 opened by samwaseda
December 5, 2024 09:31 1m 17s create_jobs
December 5, 2024 09:31 1m 17s
Rewrite spx log parser
Preview Release #62: Pull request #24 synchronize by samwaseda
December 3, 2024 13:57 45s rewrite_spx_log_parser
December 3, 2024 13:57 45s
Rewrite spx log parser
Preview Release #61: Pull request #24 opened by samwaseda
December 3, 2024 13:54 1m 12s rewrite_spx_log_parser
December 3, 2024 13:54 1m 12s
Restructure ase parser
Preview Release #60: Pull request #23 opened by samwaseda
December 2, 2024 18:12 39s restructure_ase_parser
December 2, 2024 18:12 39s
Add jth file
Preview Release #59: Pull request #22 opened by samwaseda
December 2, 2024 16:28 1m 9s add_jth_file
December 2, 2024 16:28 1m 9s
Add potential parser
Preview Release #58: Pull request #21 synchronize by samwaseda
December 1, 2024 16:27 35s add_potential_parser
December 1, 2024 16:27 35s
Add potential parser
Preview Release #57: Pull request #21 synchronize by samwaseda
December 1, 2024 16:23 1m 3s add_potential_parser
December 1, 2024 16:23 1m 3s
Add potential parser
Preview Release #56: Pull request #21 opened by samwaseda
December 1, 2024 16:13 1m 11s add_potential_parser
December 1, 2024 16:13 1m 11s
Correct magmom typo
Preview Release #55: Pull request #20 opened by samwaseda
November 29, 2024 11:22 1m 21s correct_magmom_typo
November 29, 2024 11:22 1m 21s
change names
Preview Release #54: Pull request #19 opened by samwaseda
November 25, 2024 15:38 33s change_name
November 25, 2024 15:38 33s
Index conversion
Preview Release #53: Pull request #18 opened by samwaseda
November 23, 2024 21:41 1m 19s index_conversion
November 23, 2024 21:41 1m 19s
Make potentials available from a function
Preview Release #52: Pull request #17 synchronize by samwaseda
November 22, 2024 09:42 39s get_potential
November 22, 2024 09:42 39s