sebastiankloth
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94a30b1d40
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Changed requirements
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2022-05-25 10:03:30 +02:00 |
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sebastiankloth
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fc975aef0c
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add option to specify charges and masses for .gro files
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2022-05-05 10:58:37 +02:00 |
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sebastiankloth
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dee05b44f6
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changed version
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2022-05-05 10:25:53 +02:00 |
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sebastiankloth
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aee6e33d75
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Changed version
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2022-05-03 15:18:28 +02:00 |
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sebastiankloth
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c18a369473
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Fixed index reader
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2022-05-03 15:15:12 +02:00 |
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sebastiankloth
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6c54848105
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Reimplemented index reader
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2022-05-02 17:20:34 +02:00 |
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sebastiankloth
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cefdcf7e21
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Removed backups from energy reader
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2022-04-27 15:38:49 +02:00 |
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sebastiankloth
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82c9b9ee36
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Added import for pandas
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2022-04-27 15:37:08 +02:00 |
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sebastiankloth
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1a263632b3
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Added import for re
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2022-04-27 15:27:31 +02:00 |
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sebastiankloth
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d064d8c963
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Added import for subprocess
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2022-04-27 15:14:02 +02:00 |
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sebastiankloth
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a2ae4ebfb2
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Changed version
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2022-04-27 15:13:18 +02:00 |
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sebastiankloth
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635cd51f7a
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Changed version
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2022-04-27 14:23:08 +02:00 |
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sebastiankloth
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36a5d02b8c
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Adden new reader for energy files
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2022-04-27 14:16:04 +02:00 |
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sebastiankloth
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68b8e1a305
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Initial version
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2022-04-20 14:08:38 +02:00 |
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