Sebastian Kloth skloth

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• Joined on 2023-06-29

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skloth pushed to mdeval_dev at IPKM/mdevaluate 2023-11-06 14:54:00 +00:00

118ed8e6af Added missing functions from mdeval_skloth

skloth pushed to mdeval_dev at IPKM/mdevaluate 2023-11-06 10:49:01 +00:00

9c253a2f58 Added test trajectory offset files to .gitignore

skloth pushed to mdeval_dev at IPKM/mdevaluate 2023-11-05 18:39:08 +00:00

cf28882418 Removed CachedReader

skloth pushed to mdeval_dev at IPKM/mdevaluate 2023-11-05 14:06:32 +00:00

1aa5eed106 Moved functions from mdeval_skloth and removed deprecated code

skloth pushed to mdeval_dev at IPKM/mdevaluate 2023-11-05 11:01:32 +00:00

4b139db471 Moved package files to src

skloth created branch mdeval_dev in IPKM/mdevaluate 2023-11-05 10:55:18 +00:00

skloth pushed to mdeval_dev at IPKM/mdevaluate 2023-11-05 10:55:18 +00:00

skloth pushed to main at IPKM/mdevaluate 2023-10-18 13:33:24 +00:00

22287d167d Fixed shear correction in pbc_points

skloth pushed to main at IPKM/mdevaluate 2023-10-13 14:53:15 +00:00

5aec83b358 Removed unused imports

skloth pushed to main at IPKM/mdevaluate 2023-09-26 14:23:20 +00:00

9cbdd2b464 Fixed vectors to take box of each frame

skloth pushed to main at IPKM/mdevaluate 2023-09-16 11:40:17 +00:00

b17aa6b199 Merge remote-tracking branch 'origin/main'

ec791ece8b Changed energy file reader to output a DataFrame

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skloth pushed to main at IPKM/mdevaluate 2023-07-24 09:49:53 +00:00

9fec40521e Exchanged setup.py with pyproject.toml

skloth pushed to main at IPKM/mdevaluate 2023-07-22 09:57:22 +00:00

69715fd2a7 Added multi_selector to shifted_correlation.

skloth pushed to main at IPKM/mdevaluate 2023-07-03 11:23:21 +00:00

bc078f890b Changed requirements

skloth created branch main in IPKM/mdevaluate 2023-06-30 12:31:49 +00:00

skloth pushed to main at IPKM/mdevaluate 2023-06-30 12:31:49 +00:00

ef2a3b9f40 Changed LICENSE

f453aa6fa0 Removed except clause in shifted_correlation to always raise an exception.

2125c4de47 Fix for shear sims in pbc_points

3f4f155976 Added a comment for the latest change in pbc_points.

76e44dde49 Changed pbc_points to allow to shift the box in the other direction for shear simulations.

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skloth created repository IPKM/mdevaluate 2023-06-30 12:27:18 +00:00