Commit Graph
17 Commits
Author SHA1 Message Date
Niels Müller cabd68f287 Pointer was dissolved in the wrong order.
This led to wrong atom names and eventually to seg faults.
2016-06-09 10:50:16 +02:00
Niels Müller b3f4de0567 Make filename a public attribute of XTCReader. 2016-06-07 16:21:36 +02:00
Niels Müller 9c00242e2c Module errors that collects all exceptions. 2016-06-07 16:20:38 +02:00
Niels Müller 0033cede6d Clean up __init__.py 2016-06-07 11:15:04 +02:00
Niels Müller 3c3c1edb34 Remove generated Cython files from index. 2016-06-07 11:08:04 +02:00
Niels Müller f072cf3fb6 Import XTCReader in global package. 2016-06-06 17:00:02 +02:00
Niels Müller 208a51acfe Catch some possible seg faults when opening invalid xtc files. 2016-06-06 16:59:16 +02:00
Niels Müller b16e4aac11 Deploy section added in README. 2016-06-06 14:19:22 +02:00
Niels Müller 98757efe13 Implemnted xtcindex file handling for XTCReader. 2016-06-06 13:57:19 +02:00
Niels Müller 8d3d09fcc9 Ignore Cython c files. 2016-06-03 13:06:56 +02:00
Niels Müller 76c7e793a6 Ignor only gromacs in root dir. 2016-06-03 12:35:10 +02:00
Niels Müller a601636d55 Moved gromacs module from mdevaluate to pygmx 2016-06-03 12:34:36 +02:00
Niels Müller eeb5c607f8 Remove enxio for now. 2016-06-02 13:51:51 +02:00
Niels Müller ff92b01e3e Reduce verbosity when reading tpr files. 2016-04-23 19:13:39 +02:00
Niels Müller 9d47b23b0b Added conda skeleton 2016-04-23 19:06:15 +02:00
Niels Müller 585a0b0269 enxio is broken, don't build it for now 2016-04-23 18:22:13 +02:00
Niels Müller 38315a0269 Added MIT license file 2016-04-23 18:08:36 +02:00