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added job id
ci #1198: Commit 0ffd22e pushed by cpignedoli
October 15, 2024 07:34 20m 54s feature/benchmarking
October 15, 2024 07:34 20m 54s
added job_id
ci #1197: Commit ef713b9 pushed by cpignedoli
October 15, 2024 07:02 21m 18s feature/benchmarking
October 15, 2024 07:02 21m 18s
cleaning
ci #1196: Commit 2e9e2c7 pushed by cpignedoli
October 11, 2024 07:17 21m 10s feature/benchmarking
October 11, 2024 07:17 21m 10s
automatic number of tasks per node
ci #1195: Commit 7f30328 pushed by cpignedoli
October 10, 2024 11:59 21m 14s feature/benchmarking
October 10, 2024 11:59 21m 14s
bug fix
ci #1194: Commit cbc577c pushed by cpignedoli
October 9, 2024 14:52 21m 23s feature/benchmarking
October 9, 2024 14:52 21m 23s
Nics
ci #1193: Pull request #166 synchronize by cpignedoli
October 3, 2024 12:52 21m 14s nics
October 3, 2024 12:52 21m 14s
added extras to input structure
ci #1192: Commit dd31dd0 pushed by cpignedoli
October 3, 2024 12:52 20m 47s nics
October 3, 2024 12:52 20m 47s
Nics
ci #1191: Pull request #166 synchronize by pre-commit-ci bot
September 25, 2024 09:09 17m 40s nics
September 25, 2024 09:09 17m 40s
[pre-commit.ci] auto fixes from pre-commit.com hooks
ci #1190: Commit bec152d pushed by pre-commit-ci bot
September 25, 2024 09:09 17m 27s nics
September 25, 2024 09:09 17m 27s
Nics
ci #1189: Pull request #166 synchronize by cpignedoli
September 25, 2024 09:07 17m 36s nics
September 25, 2024 09:07 17m 36s
working
ci #1188: Commit 84256d6 pushed by cpignedoli
September 25, 2024 09:07 17m 47s nics
September 25, 2024 09:07 17m 47s
working
ci #1187: Commit 98e0c86 pushed by cpignedoli
September 20, 2024 08:17 18m 17s feature/benchmarking
September 20, 2024 08:17 18m 17s
Nics
ci #1186: Pull request #166 synchronize by pre-commit-ci bot
September 18, 2024 13:52 18m 49s nics
September 18, 2024 13:52 18m 49s
[pre-commit.ci] auto fixes from pre-commit.com hooks
ci #1185: Commit 75d2f93 pushed by pre-commit-ci bot
September 18, 2024 13:52 17m 42s nics
September 18, 2024 13:52 17m 42s
Nics
ci #1184: Pull request #166 synchronize by cpignedoli
September 18, 2024 13:52 17m 53s nics
September 18, 2024 13:52 17m 53s
merge
ci #1183: Commit 0cde001 pushed by cpignedoli
September 18, 2024 13:52 17m 40s nics
September 18, 2024 13:52 17m 40s
Nics
ci #1182: Pull request #166 synchronize by pre-commit-ci bot
September 12, 2024 14:01 17m 55s nics
September 12, 2024 14:01 17m 55s
[pre-commit.ci] auto fixes from pre-commit.com hooks
ci #1181: Commit 2e48743 pushed by pre-commit-ci bot
September 12, 2024 14:01 17m 36s nics
September 12, 2024 14:01 17m 36s
Nics
ci #1180: Pull request #166 opened by cpignedoli
September 12, 2024 14:01 17m 38s nics
September 12, 2024 14:01 17m 38s
working
ci #1179: Commit e2311b8 pushed by cpignedoli
September 12, 2024 13:58 17m 54s nics
September 12, 2024 13:58 17m 54s
use DZVP basis set for Fe
ci #1178: Pull request #165 opened by cpignedoli
September 11, 2024 11:49 17m 39s fix/Fe
September 11, 2024 11:49 17m 39s
use DZVP basis set for Fe
ci #1177: Commit d61f3d3 pushed by cpignedoli
September 11, 2024 11:48 17m 36s fix/Fe
September 11, 2024 11:48 17m 36s
Compute properties (energy/forces) on series of geometries
ci #1176: Pull request #157 synchronize by pre-commit-ci bot
September 9, 2024 12:20 7m 7s feature/reftraj
September 9, 2024 12:20 7m 7s
[pre-commit.ci] auto fixes from pre-commit.com hooks
ci #1175: Commit 3be3313 pushed by pre-commit-ci bot
September 9, 2024 12:20 5m 32s feature/reftraj
September 9, 2024 12:20 5m 32s
Compute properties (energy/forces) on series of geometries
ci #1174: Pull request #157 synchronize by cpignedoli
September 9, 2024 12:19 5m 46s feature/reftraj
September 9, 2024 12:19 5m 46s