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[pre-commit.ci] auto fixes from pre-commit.com hooks Continuous Integration #439: Commit eac4f0c pushed by pre-commit-ci bot
February 7, 2024 14:20 9m 54s feature/trajectory-parser
feature/trajectory-parser
February 7, 2024 14:20 9m 54s
Implement trajectory parser, provide example of MD simulations. Continuous Integration #438: Pull request #206 opened by yakutovicha
February 7, 2024 14:20 9m 20s feature/trajectory-parser
feature/trajectory-parser
February 7, 2024 14:20 9m 20s
Implement trajectory parser, provide example of MD simulations. Continuous Integration #437: Commit bd7a889 pushed by yakutovicha
February 7, 2024 14:20 9m 13s feature/trajectory-parser
feature/trajectory-parser
February 7, 2024 14:20 9m 13s
Fix: retrieve the last structure even if a calculation has failed (#205) Continuous Integration #436: Commit 0d2d3b6 pushed by yakutovicha
January 31, 2024 10:18 9m 50s main
main
January 31, 2024 10:18 9m 50s
Fix: retrieve the last structure even if the calculation has failed. Continuous Integration #435: Pull request #205 synchronize by yakutovicha
January 31, 2024 10:07 9m 31s fix/retrieve_final_structure_if_calculation_failed
fix/retrieve_final_structure_if_calculation_failed
January 31, 2024 10:07 9m 31s
Example_restart: add messages to the asserts. Continuous Integration #434: Commit e87f38b pushed by yakutovicha
January 31, 2024 10:07 10m 10s fix/retrieve_final_structure_if_calculation_failed
fix/retrieve_final_structure_if_calculation_failed
January 31, 2024 10:07 10m 10s
Fix: retrieve the last structure even if the calculation has failed. Continuous Integration #433: Pull request #205 synchronize by yakutovicha
January 31, 2024 10:01 9m 38s fix/retrieve_final_structure_if_calculation_failed
fix/retrieve_final_structure_if_calculation_failed
January 31, 2024 10:01 9m 38s
Fixing the parser. Continuous Integration #432: Commit 081c523 pushed by yakutovicha
January 31, 2024 10:01 9m 56s fix/retrieve_final_structure_if_calculation_failed
fix/retrieve_final_structure_if_calculation_failed
January 31, 2024 10:01 9m 56s
Fix: retrieve the last structure even if the calculation has failed. Continuous Integration #431: Pull request #205 opened by yakutovicha
January 31, 2024 09:44 8m 42s fix/retrieve_final_structure_if_calculation_failed
fix/retrieve_final_structure_if_calculation_failed
January 31, 2024 09:44 8m 42s
Fix: retrieve the last structure even if the calculation has failed. Continuous Integration #430: Commit 867b4de pushed by yakutovicha
January 31, 2024 09:44 8m 45s fix/retrieve_final_structure_if_calculation_failed
fix/retrieve_final_structure_if_calculation_failed
January 31, 2024 09:44 8m 45s
[pre-commit.ci] pre-commit autoupdate Continuous Integration #429: Pull request #204 synchronize by yakutovicha
January 5, 2024 09:37 1m 30s pre-commit-ci-update-config
pre-commit-ci-update-config
January 5, 2024 09:37 1m 30s
Update Python in the CI. Continuous Integration #428: Commit 882789a pushed by yakutovicha
January 5, 2024 09:36 1m 38s pre-commit-ci-update-config
pre-commit-ci-update-config
January 5, 2024 09:36 1m 38s
[pre-commit.ci] pre-commit autoupdate Continuous Integration #427: Pull request #204 synchronize by yakutovicha
January 5, 2024 09:34 1m 37s pre-commit-ci-update-config
pre-commit-ci-update-config
January 5, 2024 09:34 1m 37s
Update Python Continuous Integration #426: Commit dce11b0 pushed by yakutovicha
January 5, 2024 09:34 1m 31s pre-commit-ci-update-config
pre-commit-ci-update-config
January 5, 2024 09:34 1m 31s
[pre-commit.ci] pre-commit autoupdate Continuous Integration #425: Pull request #204 synchronize by yakutovicha
January 5, 2024 09:33 3m 14s pre-commit-ci-update-config
pre-commit-ci-update-config
January 5, 2024 09:33 3m 14s
Update pre-commit dev dependency. Continuous Integration #424: Commit 3f49d1a pushed by yakutovicha
January 5, 2024 09:33 1m 38s pre-commit-ci-update-config
pre-commit-ci-update-config
January 5, 2024 09:33 1m 38s
[pre-commit.ci] pre-commit autoupdate Continuous Integration #423: Pull request #204 opened by pre-commit-ci bot
January 1, 2024 20:47 10m 2s pre-commit-ci-update-config
pre-commit-ci-update-config
January 1, 2024 20:47 10m 2s
[pre-commit.ci] pre-commit autoupdate Continuous Integration #422: Commit 93a8e94 pushed by pre-commit-ci bot
January 1, 2024 20:47 9m 54s pre-commit-ci-update-config
pre-commit-ci-update-config
January 1, 2024 20:47 9m 54s
Example precision: let the SCF converge (#202) Continuous Integration #421: Commit 979c619 pushed by yakutovicha
December 22, 2023 11:52 9m 50s main
main
December 22, 2023 11:52 9m 50s
Let SCF iteration converge for this test, because an SCF convergence … Continuous Integration #420: Pull request #202 synchronize by yakutovicha
December 22, 2023 11:41 9m 35s mkrack:main
mkrack:main
December 22, 2023 11:41 9m 35s
Example base workflow for geometry optimisation: reduce the runtime (… Continuous Integration #419: Commit 5a1a918 pushed by yakutovicha
December 22, 2023 11:41 9m 58s main
main
December 22, 2023 11:41 9m 58s
Example base workflow for geometry optimization: reduce runtime Continuous Integration #418: Pull request #203 opened by yakutovicha
December 22, 2023 11:24 9m 57s examples/geoopt_workchain_reduce_runtime
examples/geoopt_workchain_reduce_runtime
December 22, 2023 11:24 9m 57s
Example base workflow for geo opt: reduce runtime. Continuous Integration #417: Commit a6a4040 pushed by yakutovicha
December 22, 2023 11:24 9m 44s examples/geoopt_workchain_reduce_runtime
examples/geoopt_workchain_reduce_runtime
December 22, 2023 11:24 9m 44s
Let SCF iteration converge for this test, because an SCF convergence … Continuous Integration #416: Pull request #202 synchronize by mkrack
December 17, 2023 18:09 8m 33s mkrack:main
mkrack:main
December 17, 2023 18:09 8m 33s
Let SCF iteration converge for this test, because an SCF convergence … Continuous Integration #415: Pull request #202 synchronize by mkrack
December 17, 2023 11:05 8m 34s mkrack:main
mkrack:main
December 17, 2023 11:05 8m 34s