Niels Müller
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cabd68f287
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Pointer was dissolved in the wrong order.
This led to wrong atom names and eventually to seg faults.
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2016-06-09 10:50:16 +02:00 |
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Niels Müller
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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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Niels Müller
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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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Niels Müller
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0033cede6d
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Clean up __init__.py
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2016-06-07 11:15:04 +02:00 |
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Niels Müller
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3c3c1edb34
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Remove generated Cython files from index.
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2016-06-07 11:08:04 +02:00 |
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Niels Müller
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f072cf3fb6
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Import XTCReader in global package.
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2016-06-06 17:00:02 +02:00 |
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Niels Müller
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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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Niels Müller
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b16e4aac11
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Deploy section added in README.
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2016-06-06 14:19:22 +02:00 |
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Niels Müller
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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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Niels Müller
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8d3d09fcc9
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Ignore Cython c files.
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2016-06-03 13:06:56 +02:00 |
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Niels Müller
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76c7e793a6
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Ignor only gromacs in root dir.
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2016-06-03 12:35:10 +02:00 |
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Niels Müller
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a601636d55
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Moved gromacs module from mdevaluate to pygmx
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2016-06-03 12:34:36 +02:00 |
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Niels Müller
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eeb5c607f8
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Remove enxio for now.
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2016-06-02 13:51:51 +02:00 |
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Niels Müller
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ff92b01e3e
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Reduce verbosity when reading tpr files.
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2016-04-23 19:13:39 +02:00 |
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Niels Müller
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9d47b23b0b
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Added conda skeleton
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2016-04-23 19:06:15 +02:00 |
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Niels Müller
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585a0b0269
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enxio is broken, don't build it for now
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2016-04-23 18:22:13 +02:00 |
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Niels Müller
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38315a0269
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Added MIT license file
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2016-04-23 18:08:36 +02:00 |
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