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bug fix due to aiida-core version Continuous Integration #551: Pull request #211 opened by cpignedoli
March 15, 2024 20:41 8m 29s fix/get-global
fix/get-global
March 15, 2024 20:41 8m 29s
bug fix due to aiida-core version Continuous Integration #550: Commit 0192acd pushed by cpignedoli
March 15, 2024 20:40 8m 54s fix/get-global
fix/get-global
March 15, 2024 20:40 8m 54s
Bump version v2.0.0 -> v2.1.0b0. Publish on PyPI #9: Commit 7c2dd38 pushed by yakutovicha
March 14, 2024 18:07 30s v2.1.0b0
v2.1.0b0
March 14, 2024 18:07 30s
Bump version v2.0.0 -> v2.1.0b0. Continuous Integration #549: Commit 7c2dd38 pushed by yakutovicha
March 14, 2024 18:07 8m 36s v2.1.0b0
v2.1.0b0
March 14, 2024 18:07 8m 36s
Bump version v2.0.0 -> v2.1.0b0. Continuous Integration #548: Commit 7c2dd38 pushed by yakutovicha
March 14, 2024 18:07 8m 34s main
main
March 14, 2024 18:07 8m 34s
Install cp2k from conda Continuous Integration #547: Pull request #170 synchronize by yakutovicha
March 13, 2024 15:57 6m 8s update/docker-container
update/docker-container
March 13, 2024 15:57 6m 8s
Merge branch 'main' into update/docker-container Continuous Integration #546: Commit 9913e21 pushed by yakutovicha
March 13, 2024 15:57 6m 43s update/docker-container
update/docker-container
March 13, 2024 15:57 6m 43s
Install cp2k from conda Continuous Integration #545: Pull request #170 synchronize by yakutovicha
March 13, 2024 15:57 6m 56s update/docker-container
update/docker-container
March 13, 2024 15:57 6m 56s
Update cp2k_code fixture. Continuous Integration #544: Commit 0bf9885 pushed by yakutovicha
March 13, 2024 15:56 6m 9s update/docker-container
update/docker-container
March 13, 2024 15:56 6m 9s
Implement output trajectory merge in Cp2kBaseWorkChain (#209) Continuous Integration #543: Commit 8874fb7 pushed by yakutovicha
March 13, 2024 15:54 8m 30s main
main
March 13, 2024 15:54 8m 30s
Install cp2k from conda Continuous Integration #542: Pull request #170 synchronize by yakutovicha
March 13, 2024 15:35 5m 36s update/docker-container
update/docker-container
March 13, 2024 15:35 5m 36s
Merge branch 'main' into update/docker-container Continuous Integration #541: Commit d45c079 pushed by yakutovicha
March 13, 2024 15:35 5m 40s update/docker-container
update/docker-container
March 13, 2024 15:35 5m 40s
Implement output trajectory merge in Cp2kBaseWorkChain Continuous Integration #540: Pull request #209 synchronize by yakutovicha
March 13, 2024 15:14 8m 57s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 15:14 8m 57s
Decrease the runtime for theexample_base_md_restart.py example. Continuous Integration #539: Commit d13f2f1 pushed by yakutovicha
March 13, 2024 15:14 8m 30s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 15:14 8m 30s
Implement output trajectory merge in Cp2kBaseWorkChain Continuous Integration #538: Pull request #209 synchronize by yakutovicha
March 13, 2024 15:05 7m 34s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 15:05 7m 34s
Increase runtime for theexample_base_md_restart.py example. Continuous Integration #537: Commit f67d8de pushed by yakutovicha
March 13, 2024 15:05 7m 28s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 15:05 7m 28s
Implement output trajectory merge in Cp2kBaseWorkChain Continuous Integration #536: Pull request #209 synchronize by pre-commit-ci bot
March 13, 2024 14:54 7m 34s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 14:54 7m 34s
[pre-commit.ci] auto fixes from pre-commit.com hooks Continuous Integration #535: Commit fedc7dd pushed by pre-commit-ci bot
March 13, 2024 14:54 7m 29s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 14:54 7m 29s
Implement output trajectory merge in Cp2kBaseWorkChain Continuous Integration #534: Pull request #209 synchronize by yakutovicha
March 13, 2024 14:53 7m 54s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 14:53 7m 54s
trajectory parser: also parse the energy array. Continuous Integration #533: Commit d8b251b pushed by yakutovicha
March 13, 2024 14:53 7m 33s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 14:53 7m 33s
Implement output trajectory merge in Cp2kBaseWorkChain Continuous Integration #532: Pull request #209 synchronize by yakutovicha
March 13, 2024 14:16 7m 32s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 14:16 7m 32s
Restart handler: keep steps with the same id for the geo opt calculat… Continuous Integration #531: Commit 9f03c72 pushed by yakutovicha
March 13, 2024 14:16 7m 53s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 14:16 7m 53s
Implement output trajectory merge in Cp2kBaseWorkChain Continuous Integration #530: Pull request #209 synchronize by yakutovicha
March 13, 2024 13:28 7m 29s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 13:28 7m 29s
Make the example_base_md_restart.py work. Continuous Integration #529: Commit 0dadb7f pushed by yakutovicha
March 13, 2024 13:28 7m 31s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 13:28 7m 31s
Implement output trajectory merge in Cp2kBaseWorkChain Continuous Integration #528: Pull request #209 synchronize by yakutovicha
March 13, 2024 10:57 7m 53s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 10:57 7m 53s