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d5a43b2b6b
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fixed relative imports (language_level=2), need to be explicit for python3 (language_level=3)
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2025-05-23 21:52:11 +02:00 |
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fa7e3347d9
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Make sure too close XTC Files.
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2019-10-18 14:43:13 +02:00 |
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b0d373c9cb
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Enables time info for XTCReader
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2019-10-08 15:03:40 +02:00 |
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025cf3fe6f
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Add function to write/append xtc files.
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2019-10-08 15:01:02 +02:00 |
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d178df5c7f
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Add function to read single xtc frmames.
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2017-08-18 13:22:58 +02:00 |
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edc1bd759a
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Added option to ignore timestamps when loading xtc indexfiles.
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2017-06-30 14:34:57 +02:00 |
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e52768e6de
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Improvements!
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2017-02-02 14:01:37 +01:00 |
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80e0519942
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Fix type conversion bug in xtcreader.
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2016-09-27 13:50:08 +02:00 |
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ad482006b0
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Switched to Headers fo the Gromacs-2016 branch.
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2016-09-27 12:28:11 +02:00 |
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b3f4de0567
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Make filename a public attribute of XTCReader.
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2016-06-07 16:21:36 +02:00 |
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9c00242e2c
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Module errors that collects all exceptions.
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2016-06-07 16:20:38 +02:00 |
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208a51acfe
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Catch some possible seg faults when opening invalid xtc files.
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2016-06-06 16:59:16 +02:00 |
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98757efe13
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Implemnted xtcindex file handling for XTCReader.
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2016-06-06 13:57:19 +02:00 |
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56c38cb46b
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Bundle commit of all recent changes on pygmx.
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2016-03-30 11:52:02 +02:00 |
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58d5d3a6c4
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First draft of a python wrapper for gromacs library
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2016-03-16 13:07:02 +01:00 |
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