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Renamed histogram_correction to weight_correction lint #311: Commit 435180d pushed by wehs7661
September 6, 2023 18:39 21s hist_correction
hist_correction
September 6, 2023 18:39 21s
Merge pull request #24 from wehs7661/refactor_w_combine lint #310: Commit a3023ff pushed by wehs7661
September 6, 2023 18:35 22s hist_correction
hist_correction
September 6, 2023 18:35 22s
Fixed the error in CI lint #309: Commit 9a1373e pushed by wehs7661
September 6, 2023 18:34 18s hist_correction
hist_correction
September 6, 2023 18:34 18s
Merge pull request #24 from wehs7661/refactor_w_combine lint #308: Commit a3023ff pushed by wehs7661
September 3, 2023 09:00 26s master
master
September 3, 2023 09:00 26s
Fixed the error in CI lint #307: Commit 9a1373e pushed by wehs7661
September 3, 2023 07:58 23s refactor_w_combine
refactor_w_combine
September 3, 2023 07:58 23s
Fixed a bug in combine_weights ... Ughhhhhh lint #306: Commit d7c9133 pushed by wehs7661
August 30, 2023 09:15 21s refactor_w_combine
refactor_w_combine
August 30, 2023 09:15 21s
Fixed a minor bug in combine_weights lint #305: Commit f8a8f1d pushed by wehs7661
August 30, 2023 04:54 18s refactor_w_combine
refactor_w_combine
August 30, 2023 04:54 18s
Tweaked run_EEXE.py lint #304: Commit cb14948 pushed by wehs7661
August 29, 2023 23:56 19s refactor_w_combine
refactor_w_combine
August 29, 2023 23:56 19s
Tweaked combinne_weights and modified run_EEXE.py lint #303: Commit 9ec50c6 pushed by wehs7661
August 29, 2023 23:43 15s refactor_w_combine
refactor_w_combine
August 29, 2023 23:43 15s
Modified prepare_weights so the weight combination is only activated … lint #302: Commit 453e059 pushed by wehs7661
August 29, 2023 23:26 23s refactor_w_combine
refactor_w_combine
August 29, 2023 23:26 23s
Added new parameter rmse_cutoff and modified w_combine; Modified run_… lint #301: Commit 6f7e787 pushed by wehs7661
August 29, 2023 20:23 19s refactor_w_combine
refactor_w_combine
August 29, 2023 20:23 19s
Added prepare_weights to ensemble_EXE.py and calc_rmse to utils.py lint #300: Commit 45b1a39 pushed by wehs7661
August 29, 2023 16:18 18s refactor_w_combine
refactor_w_combine
August 29, 2023 16:18 18s
Converted utils.autoconvert and utils.get_subplot_dimension into inte… lint #299: Commit 006b608 pushed by wehs7661
August 29, 2023 06:55 21s master
master
August 29, 2023 06:55 21s
Converted functions set_params, check_gmx_executable, run_grompp, and… lint #298: Commit 27a8e24 pushed by wehs7661
August 29, 2023 06:34 22s master
master
August 29, 2023 06:34 22s
Added try/except to wrap os.remove('state.cpt') lint #297: Commit 13efc15 pushed by wehs7661
August 29, 2023 01:00 22s master
master
August 29, 2023 01:00 22s
Resolved the issue of exiting loops for weight-updating EEXE simulations lint #296: Commit b6a96b8 pushed by wehs7661
August 27, 2023 07:41 19s master
master
August 27, 2023 07:41 19s
Improved error handling in run_EEXE.py lint #295: Commit 31dc753 pushed by wehs7661
August 26, 2023 08:51 20s master
master
August 26, 2023 08:51 20s
Minor tweaks for run_EEXE.py lint #294: Commit 95e6335 pushed by wehs7661
August 26, 2023 06:30 19s master
master
August 26, 2023 06:30 19s
Modified compare_MDPs lint #293: Commit 403f5fc pushed by wehs7661
August 25, 2023 08:36 23s master
master
August 25, 2023 08:36 23s
Developed get_dg_evolution and plot_dg_evolution lint #292: Commit c94c80c pushed by wehs7661
August 25, 2023 07:13 17s master
master
August 25, 2023 07:13 17s
Tweaked analyze_traj.py and clustering.py lint #291: Commit ee7d377 pushed by wehs7661
August 20, 2023 23:34 26s master
master
August 20, 2023 23:34 26s
Fixed minor bugs in clustering.py lint #290: Commit 4fb2144 pushed by wehs7661
August 20, 2023 23:08 17s master
master
August 20, 2023 23:08 17s
Developed clustering.py in ensemble_md.analysis lint #289: Commit ab230b4 pushed by wehs7661
August 20, 2023 21:14 14s master
master
August 20, 2023 21:14 14s
Modified run_gmx_cmd and moved compare_MDPs from utils to gmx_parser lint #288: Commit b25f4a1 pushed by wehs7661
August 20, 2023 21:14 19s master
master
August 20, 2023 21:14 19s
Added convert_npy2xvg and moved run_gmx_cmd from EnsembleEXE to utils lint #287: Commit c6979f8 pushed by wehs7661
August 19, 2023 19:29 17s master
master
August 19, 2023 19:29 17s
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