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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
added restart
ci #1173: Commit ae416a3 pushed by cpignedoli
September 9, 2024 12:19 5m 44s feature/reftraj
September 9, 2024 12:19 5m 44s
[pre-commit.ci] pre-commit autoupdate (#164)
ci #1172: Commit a5a388f pushed by yakutovicha
August 22, 2024 15:29 18m 14s master
August 22, 2024 15:29 18m 14s
elpa protocol in global
ci #1171: Commit 7994364 pushed by cpignedoli
July 18, 2024 13:19 34m 3s fix/molecule-gw
July 18, 2024 13:19 34m 3s
bug fix
ci #1170: Commit 6c31161 pushed by cpignedoli
July 12, 2024 12:06 33m 41s fix/molecule-gw
July 12, 2024 12:06 33m 41s
first tests done for reusing GW
ci #1169: Commit 0c5bdaf pushed by cpignedoli
July 10, 2024 15:10 34m 42s fix/molecule-gw
July 10, 2024 15:10 34m 42s
work in progress
ci #1168: Commit ffe1872 pushed by cpignedoli
July 10, 2024 07:40 18m 3s nics
July 10, 2024 07:40 18m 3s
Add cubehandler calculation to the orbitals workchain
ci #1165: Pull request #163 synchronize by pre-commit-ci bot
April 18, 2024 14:24 19m 27s feature/render-cube-files
April 18, 2024 14:24 19m 27s
First working version.
ci #1162: Commit eebbcc9 pushed by yakutovicha
April 18, 2024 14:23 18m 0s feature/render-cube-files
April 18, 2024 14:23 18m 0s
[pre-commit.ci] pre-commit autoupdate (#162)
ci #1157: Commit 0b4a66a pushed by yakutovicha
April 2, 2024 14:23 17m 17s master
April 2, 2024 14:23 17m 17s
[pre-commit.ci] pre-commit autoupdate
ci #1156: Pull request #162 synchronize by pre-commit-ci bot
April 1, 2024 22:53 22m 47s pre-commit-ci-update-config
April 1, 2024 22:53 22m 47s
[pre-commit.ci] pre-commit autoupdate
ci #1154: Pull request #162 opened by pre-commit-ci bot
April 1, 2024 22:53 17m 12s pre-commit-ci-update-config
April 1, 2024 22:53 17m 12s
[pre-commit.ci] pre-commit autoupdate
ci #1153: Commit 2255354 pushed by pre-commit-ci bot
April 1, 2024 22:53 17m 12s pre-commit-ci-update-config
April 1, 2024 22:53 17m 12s
Bump version v1.0.0b6 -> v1.0.0b7.
ci #1152: Commit 645ff66 pushed by yakutovicha
March 14, 2024 18:14 16m 56s master
March 14, 2024 18:14 16m 56s
Bump version v1.0.0b6 -> v1.0.0b7.
Publish on PyPI #9: Commit 645ff66 pushed by yakutovicha
March 14, 2024 18:14 26s v1.0.0b7
March 14, 2024 18:14 26s
Bump version v1.0.0b6 -> v1.0.0b7.
ci #1151: Commit 645ff66 pushed by yakutovicha
March 14, 2024 18:14 18m 6s v1.0.0b7
March 14, 2024 18:14 18m 6s