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Allow extra constraints in torsiondrives
CodeQL #179: Pull request #440 synchronize by jthorton
April 9, 2024 12:44 2m 55s jthorton:td_constraints
April 9, 2024 12:44 2m 55s
Add AIMNET2 harness
CodeQL #178: Pull request #443 synchronize by jthorton
April 9, 2024 12:14 2m 56s jthorton:pyaimnet2
April 9, 2024 12:14 2m 56s
Add AIMNET2 harness
CodeQL #177: Pull request #443 synchronize by jthorton
April 9, 2024 09:40 2m 51s jthorton:pyaimnet2
April 9, 2024 09:40 2m 51s
Add a harness for MACE-OFF23 and local MACE models (#441)
CodeQL #176: Commit f5f6da3 pushed by loriab
April 8, 2024 16:54 3m 25s master
April 8, 2024 16:54 3m 25s
test CI (#445)
CodeQL #175: Commit c4c2dc3 pushed by loriab
April 8, 2024 16:44 3m 37s master
April 8, 2024 16:44 3m 37s
test CI
CodeQL #174: Pull request #445 synchronize by loriab
April 8, 2024 16:07 3m 25s loriab-patch-2
April 8, 2024 16:07 3m 25s
test CI
CodeQL #173: Pull request #445 synchronize by loriab
April 8, 2024 16:07 3m 19s loriab-patch-2
April 8, 2024 16:07 3m 19s
test CI
CodeQL #172: Pull request #445 synchronize by loriab
April 8, 2024 15:34 3m 28s loriab-patch-2
April 8, 2024 15:34 3m 28s
running Madness with QCengine
CodeQL #171: Pull request #242 synchronize by ahurta92
April 8, 2024 15:29 3m 21s ahurta92:MADNESS
April 8, 2024 15:29 3m 21s
test CI
CodeQL #170: Pull request #445 synchronize by loriab
April 8, 2024 15:17 3m 18s loriab-patch-2
April 8, 2024 15:17 3m 18s
test CI
CodeQL #169: Pull request #445 synchronize by loriab
April 8, 2024 15:07 3m 32s loriab-patch-2
April 8, 2024 15:07 3m 32s
running Madness with QCengine
CodeQL #168: Pull request #242 synchronize by ahurta92
April 8, 2024 15:05 3m 43s ahurta92:MADNESS
April 8, 2024 15:05 3m 43s
running Madness with QCengine
CodeQL #167: Pull request #242 synchronize by ahurta92
April 8, 2024 15:01 3m 20s ahurta92:MADNESS
April 8, 2024 15:01 3m 20s
test CI
CodeQL #166: Pull request #445 opened by loriab
April 8, 2024 14:45 3m 25s loriab-patch-2
April 8, 2024 14:45 3m 25s
CodeQL
CodeQL #165: Scheduled
April 2, 2024 16:12 2m 59s master
April 2, 2024 16:12 2m 59s
CodeQL
CodeQL #164: Scheduled
March 26, 2024 16:11 3m 31s master
March 26, 2024 16:11 3m 31s
CodeQL
CodeQL #163: Scheduled
March 19, 2024 16:11 3m 36s master
March 19, 2024 16:11 3m 36s
Add a harness for MACE-OFF23 and local MACE models
CodeQL #162: Pull request #441 synchronize by jthorton
March 18, 2024 12:11 3m 26s jthorton:mace
March 18, 2024 12:11 3m 26s
Add AIMNET2 harness
CodeQL #161: Pull request #443 synchronize by jthorton
March 15, 2024 17:00 3m 31s jthorton:pyaimnet2
March 15, 2024 17:00 3m 31s
Add AIMNET2 harness
CodeQL #160: Pull request #443 synchronize by jthorton
March 15, 2024 16:28 3m 22s jthorton:pyaimnet2
March 15, 2024 16:28 3m 22s
Add Gaussian harness
CodeQL #159: Pull request #442 synchronize by QuChem
March 14, 2024 17:08 3m 22s QuChem:QuChem-gaussian-added
March 14, 2024 17:08 3m 22s
Add AIMNET2 harness
CodeQL #158: Pull request #443 synchronize by jthorton
March 14, 2024 16:28 3m 29s jthorton:pyaimnet2
March 14, 2024 16:28 3m 29s
Add AIMNET2 harness
CodeQL #157: Pull request #443 synchronize by jthorton
March 14, 2024 16:21 3m 26s jthorton:pyaimnet2
March 14, 2024 16:21 3m 26s
Add AIMNET2 harness
CodeQL #156: Pull request #443 synchronize by jthorton
March 14, 2024 15:57 3m 36s jthorton:pyaimnet2
March 14, 2024 15:57 3m 36s
Add AIMNET2 harness
CodeQL #155: Pull request #443 synchronize by jthorton
March 14, 2024 15:55 3m 32s jthorton:pyaimnet2
March 14, 2024 15:55 3m 32s