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Fix help page of the collectwavecoeffs script
CI #142: Commit 382d696 pushed by vanderhe
April 26, 2024 15:01 24m 20s collectwavecoeffDescr
April 26, 2024 15:01 24m 20s
Fix help page of the collectwavecoeffs script
CI #141: Commit 382d696 pushed by vanderhe
April 26, 2024 14:58 24m 13s collectspinwConfig
April 26, 2024 14:58 24m 13s
Perform various infrastructure related trivial updates
CI #140: Commit 3aad573 pushed by vanderhe
April 26, 2024 14:31 4m 55s infraUpdate
April 26, 2024 14:31 4m 55s
Perform various infrastructure related trivial updates
CI #139: Commit 0480d76 pushed by vanderhe
April 26, 2024 14:28 5m 0s infraUpdate
April 26, 2024 14:28 5m 0s
Perform various infrastructure related trivial updates
CI #138: Commit 6912813 pushed by vanderhe
April 26, 2024 14:13 24m 28s infraUpdate
April 26, 2024 14:13 24m 28s
Perform various infrastructure related trivial updates
CI #137: Commit 4e96242 pushed by vanderhe
April 26, 2024 14:07 24m 16s infraUpdate
April 26, 2024 14:07 24m 16s
Upgrade fypp to version 3.2
CI #136: Commit d444e8d pushed by vanderhe
April 26, 2024 13:32 24m 16s fypp-3.2
April 26, 2024 13:32 24m 16s
Fix upper bound to include principle quantum numbers of 7 (#78)
CI #135: Commit c8c5f71 pushed by vanderhe
April 24, 2024 15:23 24m 33s main
April 24, 2024 15:23 24m 33s
Clean up functional selection
CI #132: Commit 6bb04ed pushed by vanderhe
April 20, 2024 10:05 31m 12s consistentEnum
April 20, 2024 10:05 31m 12s
Clean up functional selection
CI #131: Commit 9c81d81 pushed by vanderhe
April 20, 2024 09:53 54m 10s consistentEnum
April 20, 2024 09:53 54m 10s
Merge pull request #75 from vanderhe/b3lypFix
CI #130: Commit 097a928 pushed by vanderhe
April 20, 2024 09:31 51m 45s main
April 20, 2024 09:31 51m 45s
Fix bug in sktwocnt for the global hybrid B3LYP
CI #129: Commit c8807b9 pushed by vanderhe
April 19, 2024 13:46 34m 29s b3lypFix
April 19, 2024 13:46 34m 29s
Fix collectwavecoeffs parsing bug
CI #128: Commit b877218 pushed by vanderhe
April 19, 2024 12:03 35m 36s parsingFix
April 19, 2024 12:03 35m 36s
Fix bug in sktwocnt for the global hybrid B3LYP
CI #127: Commit 4b03a1a pushed by vanderhe
March 22, 2024 13:27 35m 33s b3lypFix
March 22, 2024 13:27 35m 33s
Fix bug in sktwocnt for the global hybrid B3LYP
CI #126: Commit 8cc0e5e pushed by vanderhe
March 22, 2024 10:05 30m 53s b3lypFix
March 22, 2024 10:05 30m 53s
Merge pull request #72 from vanderhe/stoExponentsScript
CI #125: Commit d138cf2 pushed by vanderhe
March 8, 2024 09:29 41m 36s main
March 8, 2024 09:29 41m 36s
January 18, 2024 15:40 30m 25s
January 18, 2024 08:43 39m 19s
Prevent parsing multiple config files due to broken backend (#70)
CI #122: Commit 69b245e pushed by vanderhe
December 11, 2023 10:14 33m 25s main
December 11, 2023 10:14 33m 25s
Prevent parsing multiple config files due to broken backend
CI #121: Commit a0c4034 pushed by vanderhe
December 8, 2023 10:22 35m 11s skdefParsing
December 8, 2023 10:22 35m 11s
Switch to LLVM compilers and LibXC 6.2.2 (#71)
CI #120: Commit 5aaf03b pushed by vanderhe
December 8, 2023 10:22 37m 44s main
December 8, 2023 10:22 37m 44s