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fix stdm12s indexing problem
mrh continuous integration #648: Commit c960b75 pushed by MatthewRHermes
August 2, 2024 23:02 21m 38s index_down_lassi_op_o1
August 2, 2024 23:02 21m 38s
Index down the orbital range in lassi op_o1 crunch
mrh continuous integration #647: Commit 054a204 pushed by MatthewRHermes
August 2, 2024 22:04 21m 34s index_down_lassi_op_o1
August 2, 2024 22:04 21m 34s
minor optimizations
mrh continuous integration #646: Commit d83e528 pushed by MatthewRHermes
August 2, 2024 20:56 21m 4s dev
dev
August 2, 2024 20:56 21m 4s
Merge branch 'dev' into lassi_clib
mrh continuous integration #645: Commit 8a834be pushed by MatthewRHermes
August 2, 2024 17:05 20m 40s dev
dev
August 2, 2024 17:05 20m 40s
Merge branch 'lassipdft_mem_management_and_calling' into dev
mrh continuous integration #644: Commit 67661e8 pushed by MatthewRHermes
August 2, 2024 17:04 20m 38s dev
dev
August 2, 2024 17:04 20m 38s
Explicit OMP in lassi/rdm.c (mistake?)
mrh continuous integration #643: Commit 6e7a55a pushed by MatthewRHermes
August 1, 2024 23:02 21m 12s lassi_clib
August 1, 2024 23:02 21m 12s
lassi time profiling
mrh continuous integration #642: Commit f45fb0f pushed by MatthewRHermes
August 1, 2024 20:20 20m 38s dev
dev
August 1, 2024 20:20 20m 38s
LASSI op_o1 1 more time index line...
mrh continuous integration #641: Commit 771006f pushed by MatthewRHermes
July 31, 2024 22:31 20m 37s dev
dev
July 31, 2024 22:31 20m 37s
partial forward-comp pyscf #2342; pyscf-forge #57
mrh continuous integration #640: Commit 5d2eb95 pushed by MatthewRHermes
July 30, 2024 22:37 20m 40s dev
dev
July 30, 2024 22:37 20m 40s
docstring missing line
mrh continuous integration #639: Commit 6739154 pushed by MatthewRHermes
July 30, 2024 16:53 20m 40s dev
dev
July 30, 2024 16:53 20m 40s
Fix warning message
mrh continuous integration #638: Commit e139071 pushed by MatthewRHermes
July 30, 2024 16:45 12s lassipdft_mem_management_and_calling
July 30, 2024 16:45 12s
fix indexing laspdft store_rdms
mrh continuous integration #636: Commit 76a5369 pushed by MatthewRHermes
July 30, 2024 16:39 5m 19s lassipdft_mem_management_and_calling
July 30, 2024 16:39 5m 19s
Merge pull request #108 from JangidBhavnesh/master
mrh continuous integration #634: Commit 9c3d4cf pushed by MatthewRHermes
July 30, 2024 15:54 20m 22s dev
dev
July 30, 2024 15:54 20m 22s
Tried to make the LASSI-PDFT faster by using the h5files
mrh continuous integration #633: Pull request #108 opened by JangidBhavnesh
July 30, 2024 06:08 20m 58s JangidBhavnesh:master
July 30, 2024 06:08 20m 58s
PySCF compat check
mrh continuous integration #632: Commit 3dfbf9a pushed by MatthewRHermes
July 29, 2024 19:17 21m 34s dev
dev
July 29, 2024 19:17 21m 34s
Lasuscc
mrh continuous integration #631: Pull request #107 opened by mitra054
July 29, 2024 18:19 20m 44s mitra054:lasuscc
July 29, 2024 18:19 20m 44s
TODO comment
mrh continuous integration #630: Commit a5a2de8 pushed by MatthewRHermes
July 25, 2024 19:03 20m 44s dev
dev
July 25, 2024 19:03 20m 44s
lasscf_async pair relaxation refactor complete
mrh continuous integration #629: Commit 5f1188e pushed by MatthewRHermes
July 24, 2024 23:50 20m 47s dev
dev
July 24, 2024 23:50 20m 47s
get_pair_lasci safety commit
mrh continuous integration #628: Commit e496a2b pushed by MatthewRHermes
July 23, 2024 22:46 21m 9s dev
dev
July 23, 2024 22:46 21m 9s
separate ImpurityCASSCF into two classes
mrh continuous integration #627: Commit de7d4ec pushed by MatthewRHermes
July 23, 2024 17:53 21m 20s dev
dev
July 23, 2024 17:53 21m 20s
lasscf async "march_madness" combination cycle
mrh continuous integration #626: Commit 0357ce3 pushed by MatthewRHermes
July 23, 2024 17:20 21m 57s dev
dev
July 23, 2024 17:20 21m 57s
PySCF compatibility check
mrh continuous integration #625: Commit 335b39c pushed by MatthewRHermes
July 22, 2024 19:04 20m 51s dev
dev
July 22, 2024 19:04 20m 51s
combine_pair separate logfiles for diff pairs
mrh continuous integration #624: Commit 43278d3 pushed by MatthewRHermes
July 22, 2024 16:55 20m 52s dev
dev
July 22, 2024 16:55 20m 52s