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Remove need for hard-coded ELEMENT_DICT. Build and test #22: Commit 42fcc57 pushed by lohedges
November 21, 2023 10:06 4m 32s main
main
November 21, 2023 10:06 4m 32s
Make attribute private. Build and test #21: Commit f8506d0 pushed by lohedges
November 16, 2023 09:59 5m 3s main
main
November 16, 2023 09:59 5m 3s
Now need pybind11 dependency for rascal. Build and test #20: Commit 177a689 pushed by lohedges
November 10, 2023 14:54 7m 23s main
main
November 10, 2023 14:54 7m 23s
Add support for restart simulations. Build and test #19: Commit 1e446d5 pushed by lohedges
November 9, 2023 13:00 7m 50s main
main
November 9, 2023 13:00 7m 50s
Merge pull request #1 from chemle/feature_xtb Build and test #18: Commit 9fbd068 pushed by lohedges
November 3, 2023 15:35 15s main
main
November 3, 2023 15:35 15s
Add support for SQM, XTB, and external backends, YAML configuration, and λ interpolation Build and test #17: Pull request #1 synchronize by lohedges
November 3, 2023 09:53 14s feature_xtb
feature_xtb
November 3, 2023 09:53 14s
Fix calculation of delta lambda. Build and test #16: Commit d1ae194 pushed by lohedges
November 3, 2023 09:53 4m 20s feature_xtb
feature_xtb
November 3, 2023 09:53 4m 20s
Add support for SQM, XTB, and external backends, YAML configuration, and λ interpolation Build and test #15: Pull request #1 synchronize by lohedges
November 2, 2023 21:12 16m 8s feature_xtb
feature_xtb
November 2, 2023 21:12 16m 8s
Use variable from arguments dictionary. Build and test #14: Commit 1fa05f0 pushed by lohedges
November 2, 2023 21:12 4m 21s feature_xtb
feature_xtb
November 2, 2023 21:12 4m 21s
Add support for SQM, XTB, and external backends, YAML configuration, and λ interpolation Build and test #13: Pull request #1 synchronize by lohedges
November 2, 2023 20:52 24s feature_xtb
feature_xtb
November 2, 2023 20:52 24s
Skip concurrent jobs. Build and test #12: Commit cc0fb8e pushed by lohedges
November 2, 2023 20:52 7m 10s feature_xtb
feature_xtb
November 2, 2023 20:52 7m 10s
Add support for SQM, XTB, and external backends, YAML configuration, and λ interpolation Build and test #7: Pull request #1 synchronize by lohedges
November 2, 2023 20:25 7m 48s feature_xtb
feature_xtb
November 2, 2023 20:25 7m 48s
Rename loop variable to avoid clash with EMLE model. Build and test #6: Commit 685c9c7 pushed by lohedges
November 2, 2023 20:25 4m 4s feature_xtb
feature_xtb
November 2, 2023 20:25 4m 4s
Add GitHub actions and license badges. Build and test #5: Commit 19cf3dc pushed by lohedges
November 2, 2023 12:04 7m 30s feature_xtb
feature_xtb
November 2, 2023 12:04 7m 30s
Add note regarding config file. Build and test #4: Commit c9c3619 pushed by lohedges
November 2, 2023 11:57 8m 4s feature_xtb
feature_xtb
November 2, 2023 11:57 8m 4s