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moldyn
TimeScaleAnalysis
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Commits on Aug 13, 2026
Add test function for timescales.derive_optimal_regularization
dorbath
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ec6abb3
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Change tsa.extend_timeTrace parameter frac_decade to frac_tmax
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tsa.extend_timeTrace more intuitive conventions. Improved clearity/style of function comments.
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Commits on Aug 12, 2026
Add/adjust test funtions of tsa.perform_tsa and tsa.derive_tsa_spectrum. Improve clarity of plotting.plot_tsa
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Commits on Aug 11, 2026
Improve Analysis_Tips.md with clearer description
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Sort input trajectories to avoid misassignments in test functions
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Add Analysis_Tips.md with additional information
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Add Analysis_Tips.md with additional information
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Commits on Mar 13, 2026
Add search for regularization parameter. Adjust tutorial accordingly.
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Commits on Mar 11, 2026
Improve Tutorial
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Dont use tutorial/* for Language statistics
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Show figures in Tutorial instead of saving them
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Commits on Mar 10, 2026
Show figures in Tutorial instead of saving them
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Add Tutorial
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Commits on Mar 9, 2026
Further adjustments to __init__ and README.md
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Further adjustments to __init__ and README.md
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Adjust __init__ (load classes directly there) and all scripts accordingly
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Adjust README file. Remove lag_rates parameter from plotting.plot_TSA. Remove return value of timescales.perform_tsa
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Commits on Mar 3, 2026
Add test functions for plotting.py: get_alpha_cmap, pretty_label, _log_axis, save_fig and _color_cycle.
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Commits on Mar 2, 2026
Add test functions for plotting.py plot_TSA, plot_dynamical_content, plot_2D_histogram and get_alpha_cmap
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Add test for utils derive_dynamical_content, absmax and generate_multi_exp_timetrace
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Commits on Feb 27, 2026
Add test functions for utils.py module (gaussian_smooth, generate_input_trajectories)
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Add test functions for io.py module. Allow for optional dictionary file name in io.save_json.
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Commits on Feb 26, 2026
Now the testing routine works
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Now the testing routine works
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Now the testing routine works
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Add testing routing for git push. Make generate_input_trajectories use pathlib
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Add testing routing for git push
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Add testing routing for git push
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Add testing routing for git push
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Add testing routing for git push
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Add testing routing for git push
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Commits on Feb 25, 2026
Add test function for perform_tsa.
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Add test function for extend_timeTrace. Remove transformation of 1D arrays in extend_timeTrace as it is already done in load_trajectories
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Add test for log_space_data. Adjust log_spaced_index_mask that there are definitely no duplicate indices (np.unique to prevent final frame doubled)
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