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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
Remove reference to non-existent README file
CI #56: Pull request #68 opened by vanderhe
October 27, 2023 12:28 35m 52s vanderhe:rmReadme
October 27, 2023 12:28 35m 52s
Handle valence shell configuration errors more gracefully (#66)
CI #55: Commit 3349344 pushed by aradi
October 26, 2023 17:54 45m 16s main
October 26, 2023 17:54 45m 16s
Merge pull request #64 from vanderhe/readmeExtension
CI #53: Commit e0ebba1 pushed by bhourahine
August 14, 2023 10:42 46m 0s main
August 14, 2023 10:42 46m 0s
Extend readme to include libXC installation
CI #52: Pull request #64 synchronize by vanderhe
August 14, 2023 08:57 46m 36s vanderhe:readmeExtension
August 14, 2023 08:57 46m 36s
Merge pull request #59 from vanderhe/avgPot
CI #51: Commit a0475a4 pushed by vanderhe
August 12, 2023 18:18 42m 43s main
August 12, 2023 18:18 42m 43s
Extend readme to include libXC installation
CI #50: Pull request #64 synchronize by vanderhe
August 9, 2023 13:35 48m 0s vanderhe:readmeExtension
August 9, 2023 13:35 48m 0s
Approximate average local potential
CI #49: Pull request #59 synchronize by vanderhe
August 9, 2023 12:58 46m 53s vanderhe:avgPot
August 9, 2023 12:58 46m 53s
Extend readme to include libXC installation
CI #48: Pull request #64 synchronize by vanderhe
August 9, 2023 12:57 47m 53s vanderhe:readmeExtension
August 9, 2023 12:57 47m 53s