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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
Fix README file. Continuous Integration #527: Commit 8044f27 pushed by yakutovicha
March 13, 2024 10:57 7m 42s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 10:57 7m 42s
Implement output trajectory merge in Cp2kBaseWorkChain Continuous Integration #526: Pull request #209 synchronize by pre-commit-ci bot
March 13, 2024 10:56 7m 37s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 10:56 7m 37s
[pre-commit.ci] auto fixes from pre-commit.com hooks Continuous Integration #525: Commit bf12020 pushed by pre-commit-ci bot
March 13, 2024 10:56 7m 35s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 10:56 7m 35s
Implement output trajectory merge in Cp2kBaseWorkChain Continuous Integration #524: Pull request #209 synchronize by yakutovicha
March 13, 2024 10:56 7m 45s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 10:56 7m 45s
Add new md workchain. Continuous Integration #523: Commit f86ff86 pushed by yakutovicha
March 13, 2024 10:56 7m 46s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 10:56 7m 46s
Implement output trajectory merge in Cp2kBaseWorkChain Continuous Integration #522: Pull request #209 synchronize by yakutovicha
March 13, 2024 08:27 8m 32s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 08:27 8m 32s
Merge branch 'main' into base-restart-workchain/merge-output-trajecto… Continuous Integration #521: Commit ee29601 pushed by yakutovicha
March 13, 2024 08:27 7m 26s base-restart-workchain/merge-output-trajectories
base-restart-workchain/merge-output-trajectories
March 13, 2024 08:27 7m 26s
Update base docker image and README for testing (#210) Continuous Integration #520: Commit 4714825 pushed by yakutovicha
March 13, 2024 08:26 6m 50s main
main
March 13, 2024 08:26 6m 50s
Working on Dockerfile and testing Continuous Integration #519: Pull request #210 synchronize by yakutovicha
March 13, 2024 08:22 7m 31s testing/update-docker-container
testing/update-docker-container
March 13, 2024 08:22 7m 31s