Sebastian Kloth skloth
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  • Joined on 2023-06-29
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skloth pushed to main at IPKM/mdevaluate 2024-01-23 09:09:15 +00:00
5c17e04b38 Added tables to dependencies
skloth pushed to main at skloth/mdevaluate_examples 2024-01-20 11:52:34 +00:00
8c246af1b5 Added example for single selector
skloth pushed to main at skloth/mdevaluate_examples 2024-01-20 09:12:52 +00:00
0f6f293090 Moved file into a separate folder
skloth pushed to main at skloth/mdevaluate_examples 2024-01-20 09:06:51 +00:00
83e9398a58 Removed folder
skloth pushed to main at skloth/mdevaluate_examples 2024-01-19 16:12:44 +00:00
add1fe5f8c Started selector example
skloth pushed to main at skloth/mdevaluate_examples 2024-01-19 12:38:29 +00:00
f1bfefb193 Updated .gitignore
skloth pushed to main at skloth/mdevaluate_examples 2024-01-19 12:37:02 +00:00
c06e1ebfba Updated README.md
skloth pushed to main at skloth/mdevaluate_examples 2024-01-19 12:36:55 +00:00
7a777ee2fc Updated LICENSE
skloth pushed to main at skloth/mdevaluate_examples 2024-01-19 07:59:45 +00:00
fdf4c17392 Added .gitignore
skloth created repository skloth/mdevaluate_examples 2024-01-18 15:57:37 +00:00
skloth pushed to main at IPKM/mdevaluate 2024-01-16 15:55:24 +00:00
16233e2f2c Merge branch 'mdeval_dev'
87ffa1e67e Fixed to find dimension of selector output
5fdc9c8698 Adjusted type hints
95b46c43be Changed input of hbonds to atom_indices
9200d31af6 Fixed spelling
Compare 75 commits »
skloth pushed to mdeval_dev at IPKM/mdevaluate 2024-01-16 12:39:53 +00:00
87ffa1e67e Fixed to find dimension of selector output
skloth pushed to mdeval_dev at IPKM/mdevaluate 2024-01-16 12:38:48 +00:00
5fdc9c8698 Adjusted type hints
skloth pushed to mdeval_dev at IPKM/mdevaluate 2024-01-16 12:38:19 +00:00
95b46c43be Changed input of hbonds to atom_indices
skloth pushed to mdeval_dev at IPKM/mdevaluate 2024-01-16 12:37:54 +00:00
9200d31af6 Fixed spelling
skloth pushed to mdeval_dev at IPKM/mdevaluate 2024-01-16 12:37:02 +00:00
5d16c7de5e Cleaned up imports and renamed T to temperature
skloth pushed to mdeval_dev at IPKM/mdevaluate 2024-01-10 14:50:53 +00:00
cf865930a5 Added pytest as a requirement
skloth pushed to mdeval_dev at IPKM/mdevaluate 2024-01-10 14:45:00 +00:00
13532b3db1 Added time_distribution function
skloth pushed to mdeval_dev at IPKM/mdevaluate 2024-01-10 14:11:46 +00:00
25cb3d38b3 Added type hints
skloth pushed to mdeval_dev at IPKM/mdevaluate 2024-01-10 11:41:22 +00:00
9e9c865cf9 Adjusted tests