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fixed units in FIXED_POINT in colvars ci #1227: Pull request #171 opened by cpignedoli
January 17, 2025 12:18 9m 27s fix/pointunits
fix/pointunits
January 17, 2025 12:18 9m 27s
fixed units in FIXED_POINT in colvars ci #1226: Commit a540edf pushed by cpignedoli
January 17, 2025 12:13 9m 54s fix/pointunits
fix/pointunits
January 17, 2025 12:13 9m 54s
setting ELPA to AUTO in protocols ci #1225: Commit 0091411 pushed by cpignedoli
January 17, 2025 11:04 9m 35s fix/alps
fix/alps
January 17, 2025 11:04 9m 35s
[pre-commit.ci] pre-commit autoupdate ci #1224: Pull request #170 opened by pre-commit-ci bot
January 7, 2025 01:21 11m 11s pre-commit-ci-update-config
pre-commit-ci-update-config
January 7, 2025 01:21 11m 11s
[pre-commit.ci] pre-commit autoupdate ci #1223: Commit 195fcc0 pushed by pre-commit-ci bot
January 7, 2025 01:21 9m 35s pre-commit-ci-update-config
pre-commit-ci-update-config
January 7, 2025 01:21 9m 35s
Use DZVP basis set for Fe (#165) ci #1222: Commit 97ac639 pushed by yakutovicha
January 6, 2025 13:01 9m 37s master
master
January 6, 2025 13:01 9m 37s
Add cubehandler calculation to the orbitals workchain (#163) ci #1221: Commit c26bcbf pushed by yakutovicha
January 6, 2025 12:59 9m 25s master
master
January 6, 2025 12:59 9m 25s
Add cubehandler calculation to the orbitals workchain ci #1220: Pull request #163 synchronize by yakutovicha
January 6, 2025 12:58 9m 37s feature/render-cube-files
feature/render-cube-files
January 6, 2025 12:58 9m 37s
Add aiida-shell plugin as the package dependency ci #1219: Commit 3890f8b pushed by yakutovicha
January 6, 2025 12:58 10m 2s feature/render-cube-files
feature/render-cube-files
January 6, 2025 12:58 10m 2s
removed analyze_structure ci #1218: Pull request #169 synchronize by pre-commit-ci bot
January 6, 2025 11:14 9m 19s feature/lowdimfinder
feature/lowdimfinder
January 6, 2025 11:14 9m 19s
[pre-commit.ci] auto fixes from pre-commit.com hooks ci #1217: Commit df1f081 pushed by pre-commit-ci bot
January 6, 2025 11:14 9m 20s feature/lowdimfinder
feature/lowdimfinder
January 6, 2025 11:14 9m 20s
removed analyze_structure ci #1216: Pull request #169 opened by cpignedoli
January 6, 2025 11:13 9m 28s feature/lowdimfinder
feature/lowdimfinder
January 6, 2025 11:13 9m 28s
removed analyze_structure ci #1215: Commit a6b7f66 pushed by cpignedoli
January 6, 2025 10:53 9m 36s feature/lowdimfinder
feature/lowdimfinder
January 6, 2025 10:53 9m 36s
Add cubehandler calculation to the orbitals workchain ci #1214: Pull request #163 synchronize by yakutovicha
December 17, 2024 15:32 11m 53s feature/render-cube-files
feature/render-cube-files
December 17, 2024 15:32 11m 53s
Minor adjustments. ci #1213: Commit d9e6feb pushed by yakutovicha
December 17, 2024 15:32 11m 14s feature/render-cube-files
feature/render-cube-files
December 17, 2024 15:32 11m 14s
Add cubehandler calculation to the orbitals workchain ci #1212: Pull request #163 synchronize by yakutovicha
December 17, 2024 15:29 12m 16s feature/render-cube-files
feature/render-cube-files
December 17, 2024 15:29 12m 16s
Remove the implementation of CubeHandler plugin and examples of its use. ci #1211: Commit d5b2b3d pushed by yakutovicha
December 17, 2024 15:29 10m 20s feature/render-cube-files
feature/render-cube-files
December 17, 2024 15:29 10m 20s
Add cubehandler calculation to the orbitals workchain ci #1210: Pull request #163 synchronize by pre-commit-ci bot
December 17, 2024 15:23 11m 52s feature/render-cube-files
feature/render-cube-files
December 17, 2024 15:23 11m 52s
[pre-commit.ci] auto fixes from pre-commit.com hooks ci #1209: Commit e3eeeea pushed by pre-commit-ci bot
December 17, 2024 15:23 9m 36s feature/render-cube-files
feature/render-cube-files
December 17, 2024 15:23 9m 36s
Add cubehandler calculation to the orbitals workchain ci #1208: Pull request #163 synchronize by yakutovicha
December 17, 2024 15:23 10m 25s feature/render-cube-files
feature/render-cube-files
December 17, 2024 15:23 10m 25s
Use aiida-shell to run cubehandler. Add it to orbitals workflow. ci #1207: Commit 24ab624 pushed by yakutovicha
December 17, 2024 15:23 10m 25s feature/render-cube-files
feature/render-cube-files
December 17, 2024 15:23 10m 25s
Nics (#166) ci #1206: Commit fb7525e pushed by cpignedoli
November 21, 2024 22:01 5m 38s master
master
November 21, 2024 22:01 5m 38s
Compute properties (energy/forces) on series of geometries (#157) ci #1205: Commit f0d0212 pushed by cpignedoli
November 21, 2024 13:54 5m 59s master
master
November 21, 2024 13:54 5m 59s
Fix/molecule gw ci #1204: Pull request #167 synchronize by pre-commit-ci bot
November 21, 2024 11:08 34m 48s fix/molecule-gw
fix/molecule-gw
November 21, 2024 11:08 34m 48s
[pre-commit.ci] auto fixes from pre-commit.com hooks ci #1203: Commit b9297ea pushed by pre-commit-ci bot
November 21, 2024 11:08 34m 2s fix/molecule-gw
fix/molecule-gw
November 21, 2024 11:08 34m 2s