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added sorting of trajectories according to stepid
Continuous Integration #612: Pull request #218 synchronize by pre-commit-ci bot
September 10, 2024 11:02 11m 31s feature/reorder-trajectories
September 10, 2024 11:02 11m 31s
added sorting of trajectories according to stepid
Continuous Integration #611: Pull request #218 opened by cpignedoli
September 10, 2024 11:00 11m 35s feature/reorder-trajectories
September 10, 2024 11:00 11m 35s
[pre-commit.ci] pre-commit autoupdate
Continuous Integration #610: Pull request #217 opened by pre-commit-ci bot
July 2, 2024 00:57 9m 25s pre-commit-ci-update-config
July 2, 2024 00:57 9m 25s
use kind_name as element tag in the xyz file
Continuous Integration #609: Pull request #216 synchronize by superstar54
May 13, 2024 14:56 9m 11s superstar54:write_kind_name
May 13, 2024 14:56 9m 11s
use kind_name as element tag in the xyz file
Continuous Integration #608: Pull request #216 synchronize by superstar54
May 13, 2024 12:46 9m 21s superstar54:write_kind_name
May 13, 2024 12:46 9m 21s
use kind_name as element tag in the xyz file
Continuous Integration #607: Pull request #216 synchronize by superstar54
May 13, 2024 12:01 4m 17s superstar54:write_kind_name
May 13, 2024 12:01 4m 17s
use kind_name as element tag in the xyz file
Continuous Integration #606: Pull request #216 opened by superstar54
May 13, 2024 11:35 7m 43s superstar54:write_kind_name
May 13, 2024 11:35 7m 43s
Add UpfData input namespace
Continuous Integration #605: Pull request #194 synchronize by pre-commit-ci bot
April 2, 2024 14:48 30m 16s feature/add-upfdata-input
April 2, 2024 14:48 30m 16s
Add UpfData input namespace
Continuous Integration #604: Pull request #194 synchronize by yakutovicha
April 2, 2024 14:48 23m 1s feature/add-upfdata-input
April 2, 2024 14:48 23m 1s
[pre-commit.ci] pre-commit autoupdate (#215)
Continuous Integration #603: Commit 400fa3d pushed by yakutovicha
April 2, 2024 14:44 9m 20s main
April 2, 2024 14:44 9m 20s
[pre-commit.ci] pre-commit autoupdate
Continuous Integration #602: Pull request #215 synchronize by pre-commit-ci bot
April 1, 2024 22:43 9m 33s pre-commit-ci-update-config
April 1, 2024 22:43 9m 33s
[pre-commit.ci] pre-commit autoupdate
Continuous Integration #601: Pull request #215 opened by pre-commit-ci bot
April 1, 2024 22:42 9m 58s pre-commit-ci-update-config
April 1, 2024 22:42 9m 58s
Add UpfData input namespace
Continuous Integration #600: Pull request #194 synchronize by yakutovicha
March 27, 2024 19:40 25m 9s feature/add-upfdata-input
March 27, 2024 19:40 25m 9s
Add UpfData input namespace
Continuous Integration #599: Pull request #194 synchronize by yakutovicha
March 27, 2024 12:00 24m 1s feature/add-upfdata-input
March 27, 2024 12:00 24m 1s
Add UpfData input namespace
Continuous Integration #598: Pull request #194 synchronize by yakutovicha
March 27, 2024 11:39 8m 47s feature/add-upfdata-input
March 27, 2024 11:39 8m 47s
Add UpfData input namespace
Continuous Integration #597: Pull request #194 synchronize by pre-commit-ci bot
March 27, 2024 10:41 8m 39s feature/add-upfdata-input
March 27, 2024 10:41 8m 39s
Add UpfData input namespace
Continuous Integration #596: Pull request #194 synchronize by yakutovicha
March 27, 2024 10:41 8m 38s feature/add-upfdata-input
March 27, 2024 10:41 8m 38s
Add UpfData input namespace
Continuous Integration #595: Pull request #194 synchronize by yakutovicha
March 27, 2024 10:14 8m 46s feature/add-upfdata-input
March 27, 2024 10:14 8m 46s
Install cp2k from conda-forge (#170)
Continuous Integration #594: Commit f237e46 pushed by yakutovicha
March 27, 2024 10:09 9m 18s main
March 27, 2024 10:09 9m 18s
Install cp2k from conda
Continuous Integration #593: Pull request #170 synchronize by yakutovicha
March 19, 2024 15:23 10m 1s update/docker-container
March 19, 2024 15:23 10m 1s
Conda -> mamba
Continuous Integration #592: Commit 5aaa580 pushed by yakutovicha
March 19, 2024 15:23 9m 32s update/docker-container
March 19, 2024 15:23 9m 32s
Install cp2k from conda
Continuous Integration #591: Pull request #170 synchronize by yakutovicha
March 19, 2024 15:01 5m 3s update/docker-container
March 19, 2024 15:01 5m 3s
Conda -> mamba
Continuous Integration #590: Commit e4d8da4 pushed by yakutovicha
March 19, 2024 15:00 4m 55s update/docker-container
March 19, 2024 15:00 4m 55s
Install cp2k from conda
Continuous Integration #589: Pull request #170 synchronize by yakutovicha
March 19, 2024 14:59 9m 45s update/docker-container
March 19, 2024 14:59 9m 45s
Conda -> mamba
Continuous Integration #588: Commit b932725 pushed by yakutovicha
March 19, 2024 14:59 9m 53s update/docker-container
March 19, 2024 14:59 9m 53s