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Added test_clustering.py lint #387: Commit 60daa80 pushed by wehs7661
March 26, 2024 16:17 31s add_tests
add_tests
March 26, 2024 16:17 31s
Add unit tests for utils.py and tweaked utils.py lint #386: Commit 194235c pushed by wehs7661
March 26, 2024 11:17 15s add_tests
add_tests
March 26, 2024 11:17 15s
Added a test for compare_MDPs lint #385: Commit 7e2fb7d pushed by wehs7661
March 26, 2024 09:10 18s add_tests
add_tests
March 26, 2024 09:10 18s
Modified test_run_grompp and .circleci/config.yml lint #384: Commit 946d0c2 pushed by wehs7661
March 26, 2024 07:32 15s add_tests
add_tests
March 26, 2024 07:32 15s
Fixed a bug in the unit test of test_mpi_func.py lint #383: Commit b1876dc pushed by wehs7661
March 26, 2024 04:24 16s add_tests
add_tests
March 26, 2024 04:24 16s
Modified .circleci/config.yml lint #382: Commit d57ba99 pushed by wehs7661
March 25, 2024 19:39 14s add_tests
add_tests
March 25, 2024 19:39 14s
Changed the image in config.yml for CircleCI lint #381: Commit 80c6d57 pushed by wehs7661
March 25, 2024 18:50 21s add_tests
add_tests
March 25, 2024 18:50 21s
Fixed a bug in test_mpi_func.py lint #380: Commit 8592b3e pushed by wehs7661
March 25, 2024 18:46 21s add_tests
add_tests
March 25, 2024 18:46 21s
Some minor tweaks lint #379: Commit ab675f4 pushed by wehs7661
March 25, 2024 18:37 17s add_tests
add_tests
March 25, 2024 18:37 17s
Added a unit test for _run_grompp lint #378: Commit 2a76ea5 pushed by wehs7661
March 25, 2024 18:01 20s add_tests
add_tests
March 25, 2024 18:01 20s
Minor tweaks for the working directory lint #377: Commit 060c608 pushed by wehs7661
March 25, 2024 17:50 19s add_tests
add_tests
March 25, 2024 17:50 19s
Removed the YAML parameter working_dir and added lines to parse worki… lint #376: Commit 81c146a pushed by wehs7661
March 25, 2024 17:41 23s add_tests
add_tests
March 25, 2024 17:41 23s
Added the YAML parameter working_dir lint #375: Commit 4a591cb pushed by wehs7661
March 25, 2024 17:25 20s add_tests
add_tests
March 25, 2024 17:25 20s
Added a test using mpi4py lint #374: Commit fbcab8d pushed by wehs7661
March 25, 2024 15:53 15s add_tests
add_tests
March 25, 2024 15:53 15s
Enhanced the code coverage of replica_exchange_EE.py lint #373: Commit 06070b5 pushed by wehs7661
March 25, 2024 15:35 23s add_tests
add_tests
March 25, 2024 15:35 23s
Enhanced the code coverage for the function set_params lint #372: Commit 721e320 pushed by wehs7661
March 25, 2024 10:46 18s add_tests
add_tests
March 25, 2024 10:46 18s
Minor tweaks lint #371: Commit 7ebe1a5 pushed by wehs7661
March 25, 2024 08:36 16s master
master
March 25, 2024 08:36 16s
Merge pull request #36 from wehs7661/analysis_tweaks lint #370: Commit 074dd47 pushed by wehs7661
February 29, 2024 12:22 21s master
master
February 29, 2024 12:22 21s
Fixed linting errors lint #369: Commit 2a51ffc pushed by wehs7661
February 29, 2024 12:12 15s analysis_tweaks
analysis_tweaks
February 29, 2024 12:12 15s
Modified analyze_REXEE.py to additionally pickle t_idx_list and g_list lint #368: Commit be6cc2a pushed by wehs7661
February 29, 2024 12:10 18s analysis_tweaks
analysis_tweaks
February 29, 2024 12:10 18s
Modified clustering.py lint #367: Commit 02136d6 pushed by wehs7661
February 29, 2024 10:44 19s analysis_tweaks
analysis_tweaks
February 29, 2024 10:44 19s
Modified cluster_traj to allow cluserting analysis for non-coupled c… lint #366: Commit bf826c9 pushed by wehs7661
February 25, 2024 19:28 15s analysis_tweaks
analysis_tweaks
February 25, 2024 19:28 15s
Removed the deactivation mechanism of free energy calculations given … lint #365: Commit 2d53165 pushed by wehs7661
February 25, 2024 18:38 15s analysis_tweaks
analysis_tweaks
February 25, 2024 18:38 15s
Minor tweaks lint #364: Commit bce555f pushed by wehs7661
February 25, 2024 17:26 18s master
master
February 25, 2024 17:26 18s
Some minor tweaks lint #363: Commit a94a70c pushed by wehs7661
February 24, 2024 16:04 17s master
master
February 24, 2024 16:04 17s
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