- 21 Feb, 2018 1 commit
-
-
peastman authored
-
- 30 Jan, 2018 1 commit
-
-
peastman authored
-
- 23 Jan, 2018 1 commit
-
-
Peter Eastman authored
-
- 18 Jan, 2018 2 commits
-
-
Alan Grossfield authored
-
Alan Grossfield authored
-
- 12 Dec, 2017 1 commit
-
-
peastman authored
-
- 04 Dec, 2017 1 commit
-
-
Andrea Rizzi authored
-
- 01 Dec, 2017 1 commit
-
-
Levi Naden authored
The pickle round trip for the Bond object does not preserve the `type` and `order` parameters in Python 2.7. Near as I can tell, its because the parent `namedtuple` already has a __getstate__ method, so the default of returning the `__dict__` is never given, so `__setstate__` is not called (as default). This leads to pickle restoring the state, but never invoking the `__new__` statement, resulting in `type` and `order` being lost. This PR fixes this problem in python 2.7, without breaking python 3.x versions. Related mdtraj/mdtraj#1308
-
- 30 Nov, 2017 3 commits
- 29 Nov, 2017 1 commit
-
-
peastman authored
-
- 28 Nov, 2017 1 commit
-
-
peastman authored
-
- 22 Nov, 2017 2 commits
- 20 Nov, 2017 1 commit
-
-
peastman authored
-
- 19 Nov, 2017 1 commit
-
-
John Chodera authored
Remove optimization to ForceField LennardJonesGenerator that was causing issues with CHARMM conversion
-
- 14 Nov, 2017 1 commit
-
-
peastman authored
-
- 10 Nov, 2017 1 commit
-
-
Peter Eastman authored
-
- 07 Oct, 2017 1 commit
-
-
peastman authored
-
- 26 Sep, 2017 3 commits
-
-
João Rodrigues authored
-
João Rodrigues authored
Changed format to 'pdbx' for consistency within the test framework. Added 'cif' to CMakeLists.txt for correctness for the future
-
João Rodrigues authored
-
- 25 Sep, 2017 2 commits
-
-
João Rodrigues authored
-
João Rodrigues authored
-
- 24 Sep, 2017 1 commit
-
-
João Rodrigues authored
-
- 11 Sep, 2017 1 commit
-
-
peastman authored
-
- 08 Sep, 2017 1 commit
-
-
peastman authored
-
- 06 Sep, 2017 1 commit
-
-
peastman authored
-
- 25 Aug, 2017 1 commit
-
-
peastman authored
-
- 15 Aug, 2017 1 commit
-
-
John Chodera authored
-
- 09 Aug, 2017 1 commit
-
-
peastman authored
-
- 08 Aug, 2017 1 commit
-
-
peastman authored
-
- 01 Aug, 2017 1 commit
-
-
peastman authored
-
- 18 Jul, 2017 1 commit
-
-
peastman authored
-
- 14 Jul, 2017 1 commit
-
-
peastman authored
-
- 19 Jun, 2017 2 commits
-
-
Peter Eastman authored
-
Mohamad Mohebifar authored
-
- 16 Jun, 2017 1 commit
-
-
Peter Eastman authored
-
- 25 May, 2017 1 commit
-
-
Jason Swails authored
-