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Merge pull request #83 from vanderhe/collectspinwConfig
CI #82: Commit f0d1f4f pushed by vanderhe
May 3, 2024 06:18 24m 35s main
May 3, 2024 06:18 24m 35s
Manual input location for collectspinw
CI #81: Pull request #83 opened by vanderhe
April 26, 2024 15:17 24m 26s vanderhe:collectspinwConfig
April 26, 2024 15:17 24m 26s
Fix description of collectwavecoeffs
CI #79: Pull request #81 opened by vanderhe
April 26, 2024 14:59 24m 17s vanderhe:collectspinwConfig
April 26, 2024 14:59 24m 17s
Infrastructure update
CI #78: Pull request #80 opened by vanderhe
April 26, 2024 14:31 4m 54s vanderhe:infraUpdate
April 26, 2024 14:31 4m 54s
Upgrade to fypp v3.2
CI #77: Pull request #79 opened by vanderhe
April 26, 2024 13:34 19s vanderhe:fypp-3.2
April 26, 2024 13:34 19s
Fix upper bound to include principle quantum numbers of 7 (#78)
CI #76: Commit c8c5f71 pushed by aradi
April 24, 2024 15:17 38m 39s main
April 24, 2024 15:17 38m 39s
Clean up functional selection
CI #74: Pull request #76 opened by vanderhe
April 20, 2024 10:07 52m 45s vanderhe:consistentEnum
April 20, 2024 10:07 52m 45s
Merge pull request #75 from vanderhe/b3lypFix
CI #73: Commit 097a928 pushed by bhourahine
April 19, 2024 15:18 32m 27s main
April 19, 2024 15:18 32m 27s
Fix bug in sktwocnt for the global hybrid B3LYP
CI #72: Pull request #75 synchronize by vanderhe
April 19, 2024 13:46 32m 48s vanderhe:b3lypFix
April 19, 2024 13:46 32m 48s
Merge pull request #74 from vanderhe/parsingFix
CI #71: Commit 9b8b085 pushed by bhourahine
April 19, 2024 13:27 52m 29s main
April 19, 2024 13:27 52m 29s
Fix bug in sktwocnt for the global hybrid B3LYP
CI #70: Pull request #75 opened by vanderhe
April 19, 2024 12:12 31m 55s vanderhe:b3lypFix
April 19, 2024 12:12 31m 55s
Fix collectwavecoeffs config file parsing
CI #69: Pull request #74 opened by vanderhe
April 19, 2024 12:05 55m 34s vanderhe:parsingFix
April 19, 2024 12:05 55m 34s
Merge pull request #72 from vanderhe/stoExponentsScript
CI #68: Commit d138cf2 pushed by bhourahine
January 24, 2024 22:49 31m 3s main
January 24, 2024 22:49 31m 3s
Utility for Slater exponent generation
CI #67: Pull request #72 synchronize by vanderhe
January 18, 2024 15:40 29m 45s vanderhe:stoExponentsScript
January 18, 2024 15:40 29m 45s
Utility for Slater exponent generation
CI #66: Pull request #72 opened by vanderhe
January 18, 2024 08:46 35m 45s vanderhe:stoExponentsScript
January 18, 2024 08:46 35m 45s
Prevent parsing multiple config files due to broken backend (#70)
CI #65: Commit 69b245e pushed by aradi
December 8, 2023 17:34 44m 5s main
December 8, 2023 17:34 44m 5s
Prevent parsing multiple config files
CI #64: Pull request #70 synchronize by vanderhe
December 8, 2023 10:22 1h 2m 15s vanderhe:skdefParsing
December 8, 2023 10:22 1h 2m 15s
Switch to LLVM compilers and LibXC 6.2.2 (#71)
CI #63: Commit 5aaf03b pushed by aradi
December 8, 2023 10:21 36m 11s main
December 8, 2023 10:21 36m 11s
Update CI workflow
CI #62: Pull request #71 opened by vanderhe
December 8, 2023 09:09 44m 43s vanderhe:updateCI
December 8, 2023 09:09 44m 43s
Prevent parsing multiple config files
CI #61: Pull request #70 opened by vanderhe
November 16, 2023 15:43 35m 48s vanderhe:skdefParsing
November 16, 2023 15:43 35m 48s
Merge pull request #68 from vanderhe/rmReadme
CI #60: Commit 0f68fc2 pushed by bhourahine
October 30, 2023 08:13 51m 44s main
October 30, 2023 08:13 51m 44s
Remove reference to non-existent README file
CI #59: Pull request #68 synchronize by vanderhe
October 30, 2023 06:55 38m 57s vanderhe:rmReadme
October 30, 2023 06:55 38m 57s
Merge pull request #69 from vanderhe/getRidOfDistutils
CI #58: Commit 41eb3fe pushed by vanderhe
October 30, 2023 06:54 45m 0s main
October 30, 2023 06:54 45m 0s