Markus Rosenstihl d5a43b2b6b fixed relative imports (language_level=2), need to be explicit for python3 (language_level=3)

2025-05-23 21:52:11 +02:00

..

gromacs

Change coordinates property to positions, according to mdanalysis.

2017-11-14 13:43:59 +01:00

__init__.py

Implement Gromacs internal Whole Procedure

2019-10-25 09:55:20 +02:00

enxio.pyx

fixed relative imports (language_level=2), need to be explicit for python3 (language_level=3)

2025-05-23 21:52:11 +02:00

errors.py

Module errors that collects all exceptions.

2016-06-07 16:20:38 +02:00

fileio.pxd

fixed relative imports (language_level=2), need to be explicit for python3 (language_level=3)

2025-05-23 21:52:11 +02:00

math.pxd

fixed relative imports (language_level=2), need to be explicit for python3 (language_level=3)

2025-05-23 21:52:11 +02:00

mdtypes.pxd

fixed relative imports (language_level=2), need to be explicit for python3 (language_level=3)

2025-05-23 21:52:11 +02:00

reader.py

First draft of a python wrapper for gromacs library

2016-03-16 13:07:02 +01:00

tngio.pyx

First draft of a python wrapper for gromacs library

2016-03-16 13:07:02 +01:00

topology.pxd

fixed relative imports (language_level=2), need to be explicit for python3 (language_level=3)

2025-05-23 21:52:11 +02:00

tpxio.pyx

fixed relative imports (language_level=2), need to be explicit for python3 (language_level=3)

2025-05-23 21:52:11 +02:00

utility.pxd

Enabled & functioning edrfile reader.

2016-09-27 15:46:05 +02:00

xtcindex.py

Improvements!

2017-02-02 14:01:37 +01:00

xtcio.pyx

fixed relative imports (language_level=2), need to be explicit for python3 (language_level=3)

2025-05-23 21:52:11 +02:00