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Fix COSMO implicit solvents CI #1496: Commit 469b37a pushed by bhourahine
November 13, 2024 15:27 22m 24s main
main
November 13, 2024 15:27 22m 24s
Fix COSMO implicit solvents CI #1495: Commit bea2546 pushed by bhourahine
November 11, 2024 22:44 13m 47s symSolventNeighbour
symSolventNeighbour
November 11, 2024 22:44 13m 47s
Fix change log CI #1494: Commit 11793cd pushed by bhourahine
November 11, 2024 22:43 13m 53s symSolventNeighbour
symSolventNeighbour
November 11, 2024 22:43 13m 53s
Revert tests CI #1493: Commit 4f0fbed pushed by bhourahine
November 11, 2024 22:41 14m 13s symSolventNeighbour
symSolventNeighbour
November 11, 2024 22:41 14m 13s
Fix COSMO implicit solvents CI #1492: Commit a95c01b pushed by bhourahine
November 11, 2024 17:24 20m 50s symSolventNeighbour
symSolventNeighbour
November 11, 2024 17:24 20m 50s
Fix for GBSA Born matrix diagonal CI #1491: Commit 2cc5114 pushed by bhourahine
November 11, 2024 17:20 25m 1s bornSolventFixes
bornSolventFixes
November 11, 2024 17:20 25m 1s
Fix COSMO implicit solvents CI #1490: Commit f584256 pushed by bhourahine
November 10, 2024 12:56 14m 30s symSolventNeighbour
symSolventNeighbour
November 10, 2024 12:56 14m 30s
Fix implicit solvents CI #1489: Commit 2c5074a pushed by bhourahine
November 10, 2024 12:54 13m 50s symSolventNeighbour
symSolventNeighbour
November 10, 2024 12:54 13m 50s
Remove blocking of constraints with transport CI #1488: Commit d4da8c5 pushed by bhourahine
November 10, 2024 12:53 14m 41s main
main
November 10, 2024 12:53 14m 41s
Correctly describe return for radii CI #1487: Commit ac9963a pushed by bhourahine
November 10, 2024 12:52 14m 45s covalentRadiiModule
covalentRadiiModule
November 10, 2024 12:52 14m 45s
Electronic constraints enabled for xTB models CI #1486: Commit 00b31fb pushed by bhourahine
November 9, 2024 23:53 1m 17s main
main
November 9, 2024 23:53 1m 17s
Add references for Rational optimiser in the manual. (#1556) CI #1485: Commit b8cac3f pushed by bhourahine
November 9, 2024 22:28 1m 10s cmakeGitHub
cmakeGitHub
November 9, 2024 22:28 1m 10s
Upgrade CI #1484: Commit cefc62f pushed by bhourahine
November 9, 2024 22:26 56s cmakeGitHub
cmakeGitHub
November 9, 2024 22:26 56s
Workflow test CI #1483: Commit 8354907 pushed by bhourahine
November 9, 2024 22:19 1m 6s cmakeGitHub
cmakeGitHub
November 9, 2024 22:19 1m 6s
Remove blocking of constraints with transport CI #1482: Commit d912025 pushed by bhourahine
November 9, 2024 22:05 1m 8s transportConstraint
transportConstraint
November 9, 2024 22:05 1m 8s
Remove blocking of constraints with transport CI #1481: Commit 919909d pushed by bhourahine
November 9, 2024 22:02 1m 19s transportConstraint
transportConstraint
November 9, 2024 22:02 1m 19s
Parser version bump CI #1480: Commit 77016e2 pushed by bhourahine
November 9, 2024 20:27 1m 9s extModelInterfaceRebase
extModelInterfaceRebase
November 9, 2024 20:27 1m 9s
Parser version CI #1479: Commit 964e346 pushed by bhourahine
November 9, 2024 20:10 1m 32s extModelInterfaceRebase
extModelInterfaceRebase
November 9, 2024 20:10 1m 32s
Informative error for spin constants CI #1478: Commit d2fb11e pushed by bhourahine
November 9, 2024 18:21 14m 1s spinConstantHints
spinConstantHints
November 9, 2024 18:21 14m 1s
Electronic constraints enabled for xTB models CI #1477: Commit e05a3cb pushed by bhourahine
November 7, 2024 13:13 19m 40s xTB_elecConstraint
xTB_elecConstraint
November 7, 2024 13:13 19m 40s
Electronic constraints enabled for xTB models CI #1476: Commit 9fc6938 pushed by bhourahine
November 7, 2024 13:08 18m 13s xTB_elecConstraint
xTB_elecConstraint
November 7, 2024 13:08 18m 13s
Remove blocking of constraints with transport CI #1475: Commit 2579059 pushed by bhourahine
November 6, 2024 23:03 14m 5s transportConstraint
transportConstraint
November 6, 2024 23:03 14m 5s
Intermediate state CI #1474: Commit 64bee4a pushed by bhourahine
November 1, 2024 17:20 13m 24s opticalMatrixElements
opticalMatrixElements
November 1, 2024 17:20 13m 24s
Intermediate state CI #1473: Commit 268b0c2 pushed by bhourahine
November 1, 2024 14:04 18m 21s opticalMatrixElements
opticalMatrixElements
November 1, 2024 14:04 18m 21s
Mark linrespgrad as private CI #1472: Commit f8f8334 pushed by bhourahine
October 31, 2024 16:44 18m 35s opticalMatrixElements
opticalMatrixElements
October 31, 2024 16:44 18m 35s