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use rdkit2ase tests #1206: Pull request #344 synchronize by pre-commit-ci bot
December 3, 2024 14:52 10m 37s rdkit2ase
rdkit2ase
December 3, 2024 14:52 10m 37s
use rdkit2ase tests #1205: Pull request #344 synchronize by PythonFZ
December 3, 2024 14:50 In progress rdkit2ase
rdkit2ase
December 3, 2024 14:50 In progress
use rdkit2ase tests #1204: Pull request #344 synchronize by PythonFZ
December 3, 2024 14:20 15m 53s rdkit2ase
rdkit2ase
December 3, 2024 14:20 15m 53s
use rdkit2ase tests #1203: Pull request #344 synchronize by pre-commit-ci bot
December 3, 2024 14:17 10m 46s rdkit2ase
rdkit2ase
December 3, 2024 14:17 10m 46s
use rdkit2ase tests #1202: Pull request #344 synchronize by PythonFZ
December 3, 2024 14:16 11m 26s rdkit2ase
rdkit2ase
December 3, 2024 14:16 11m 26s
seperate config and mdp files (#358) tests #1201: Commit d849313 pushed by PythonFZ
December 3, 2024 14:11 12m 22s main
main
December 3, 2024 14:11 12m 22s
seperate config and mdp files tests #1200: Pull request #358 synchronize by PythonFZ
December 3, 2024 13:40 16m 52s 335-smiles2gromacs-does-not-longer-work-with-mdp-files
335-smiles2gromacs-does-not-longer-work-with-mdp-files
December 3, 2024 13:40 16m 52s
seperate config and mdp files tests #1199: Pull request #358 synchronize by pre-commit-ci bot
December 3, 2024 12:52 12m 20s 335-smiles2gromacs-does-not-longer-work-with-mdp-files
335-smiles2gromacs-does-not-longer-work-with-mdp-files
December 3, 2024 12:52 12m 20s
seperate config and mdp files tests #1198: Pull request #358 opened by PythonFZ
December 3, 2024 12:52 12m 13s 335-smiles2gromacs-does-not-longer-work-with-mdp-files
335-smiles2gromacs-does-not-longer-work-with-mdp-files
December 3, 2024 12:52 12m 13s
add berendsen to pyis (#356) tests #1197: Commit 548b91d pushed by M-R-Schaefer
December 3, 2024 11:31 15m 4s main
main
December 3, 2024 11:31 15m 4s
add berendsen to pyis tests #1196: Pull request #356 synchronize by M-R-Schaefer
December 3, 2024 11:17 15m 13s fix_berendsen
fix_berendsen
December 3, 2024 11:17 15m 13s
fix ase md failing for bad models (#355) tests #1195: Commit be97528 pushed by M-R-Schaefer
December 3, 2024 11:15 15m 24s main
main
December 3, 2024 11:15 15m 24s
fix ase md failing for bad models tests #1194: Pull request #355 synchronize by M-R-Schaefer
December 3, 2024 11:06 9m 57s fix_ase
fix_ase
December 3, 2024 11:06 9m 57s
add berendsen to pyis tests #1193: Pull request #356 synchronize by M-R-Schaefer
December 3, 2024 11:04 15m 34s fix_berendsen
fix_berendsen
December 3, 2024 11:04 15m 34s
add berendsen to pyis tests #1192: Pull request #356 synchronize by pre-commit-ci bot
December 3, 2024 11:02 17m 4s fix_berendsen
fix_berendsen
December 3, 2024 11:02 17m 4s
add berendsen to pyis tests #1191: Pull request #356 opened by M-R-Schaefer
December 3, 2024 11:02 10m 18s fix_berendsen
fix_berendsen
December 3, 2024 11:02 10m 18s
do not remove the directory (#354) tests #1190: Commit f064ff1 pushed by PythonFZ
December 3, 2024 11:01 13m 52s main
main
December 3, 2024 11:01 13m 52s
fix ase md failing for bad models tests #1189: Pull request #355 synchronize by pre-commit-ci bot
December 3, 2024 10:51 13m 0s fix_ase
fix_ase
December 3, 2024 10:51 13m 0s
fix ase md failing for bad models tests #1188: Pull request #355 opened by M-R-Schaefer
December 3, 2024 10:51 12m 24s fix_ase
fix_ase
December 3, 2024 10:51 12m 24s
do not remove the directory tests #1187: Pull request #354 opened by PythonFZ
December 3, 2024 10:47 15m 1s 351-smiles2gromacs-erroneously-deletes-gromacs-folder
351-smiles2gromacs-erroneously-deletes-gromacs-folder
December 3, 2024 10:47 15m 1s
converted cp2k node to ips.Node (#353) tests #1186: Commit c5d785a pushed by M-R-Schaefer
December 3, 2024 10:30 10m 11s main
main
December 3, 2024 10:30 10m 11s
converted cp2k node to ips.Node tests #1185: Pull request #353 opened by M-R-Schaefer
December 3, 2024 10:09 10m 6s fix_cp2k
fix_cp2k
December 3, 2024 10:09 10m 6s
Intermolecular forces uncertainty quantification (#346) tests #1184: Commit 62ee390 pushed by M-R-Schaefer
December 3, 2024 09:51 11m 45s main
main
December 3, 2024 09:51 11m 45s
[pre-commit.ci] pre-commit autoupdate tests #1183: Pull request #227 synchronize by pre-commit-ci bot
December 2, 2024 22:24 11m 13s pre-commit-ci-update-config
pre-commit-ci-update-config
December 2, 2024 22:24 11m 13s
[pre-commit.ci] pre-commit autoupdate tests #1182: Pull request #227 synchronize by pre-commit-ci bot
December 2, 2024 22:23 11m 59s pre-commit-ci-update-config
pre-commit-ci-update-config
December 2, 2024 22:23 11m 59s