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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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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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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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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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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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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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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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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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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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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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9d47b23b0b
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Added conda skeleton
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2016-04-23 19:06:15 +02:00 |
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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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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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dd5632dca5
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Updated README
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2016-03-30 11:56:54 +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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435e9adaf2
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Basic readme with instructions for installation.
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2016-03-17 10:18:32 +01:00 |
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73061a3a53
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Only change lib path
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2016-03-16 15:09:59 +01:00 |
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cced8be730
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Locate gromacs lib in subdirectoies of LD_LIBRARY_PATH
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2016-03-16 15:07:53 +01:00 |
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21e6594c07
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Use gromacs 5.1 release (instead of master)
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2016-03-16 14:54:53 +01:00 |
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dbfdc6b7cd
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Use https adress for submodule
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2016-03-16 13:11:42 +01:00 |
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4da961ab6b
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ignore gormacs source here
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2016-03-16 13:07:40 +01:00 |
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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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b49941595b
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Gromacs source as submodule
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2016-03-16 13:05:10 +01:00 |
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1566555c5d
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Initial files for the package
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2016-03-16 13:01:22 +01:00 |
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