- 25 Jun, 2013 1 commit
-
-
peastman authored
-
- 13 Jun, 2013 1 commit
-
-
Justin MacCallum authored
-
- 04 Jun, 2013 1 commit
-
-
peastman authored
Converted the array containing atom block indices for the neighbor list from ushort2 to int. This removes the hard limit of 2 million atoms.
-
- 29 May, 2013 1 commit
-
-
Yutong Zhao authored
-
- 28 May, 2013 1 commit
-
-
peastman authored
Integrators control when atom reordering gets done, instead of having it happen automatically when forces are evaluated. This simplifies some code, and also improves unintuitive behavior with CustomIntegrator.
-
- 24 May, 2013 6 commits
-
-
peastman authored
-
peastman authored
-
Yutong Zhao authored
-
Yutong Zhao authored
-
Yutong Zhao authored
-
Yutong Zhao authored
-
- 22 May, 2013 2 commits
-
-
peastman authored
-
Yutong Zhao authored
-
- 16 May, 2013 2 commits
-
-
Yutong Zhao authored
-
Yutong Zhao authored
-
- 14 May, 2013 1 commit
-
-
Yutong Zhao authored
-
- 08 May, 2013 1 commit
-
-
Peter Eastman authored
-
- 07 May, 2013 1 commit
-
-
Peter Eastman authored
Long range correction for both NonbondedForce and CustomNonbondedForce takes the switching function into account
-
- 06 May, 2013 2 commits
-
-
Peter Eastman authored
-
Peter Eastman authored
-
- 03 May, 2013 3 commits
-
-
Peter Eastman authored
-
Peter Eastman authored
-
Peter Eastman authored
-
- 25 Apr, 2013 1 commit
-
-
Peter Eastman authored
-
- 24 Apr, 2013 1 commit
-
-
Peter Eastman authored
-
- 23 Apr, 2013 2 commits
-
-
Yutong Zhao authored
-
Peter Eastman authored
-
- 22 Apr, 2013 1 commit
-
-
Peter Eastman authored
-
- 19 Apr, 2013 2 commits
-
-
Yutong Zhao authored
Fixes a hard to catch bug when a boundingBoxSize increases in size in between a timestep, but does not trigger a rebuild of the neighbourlist. Affects the usage of singlePeriodicCopy in nonbonded force.
-
Peter Eastman authored
-
- 15 Apr, 2013 4 commits
-
-
Yutong Zhao authored
-
Yutong Zhao authored
Fixes a minor windows compiler invocation issue where C:\Program Files becomes delimited by the space. Also enables debugging libraries to be built in debug mode for WIN32 + Visual Studio.
-
Yutong Zhao authored
-
Yutong Zhao authored
-
- 12 Apr, 2013 2 commits
-
-
Peter Eastman authored
-
Peter Eastman authored
When computing kinetic energy, make sure the shifted velocities are perpendicular to the constraints
-
- 10 Apr, 2013 1 commit
-
-
Peter Eastman authored
-
- 08 Apr, 2013 2 commits
-
-
Peter Eastman authored
Reduced memory use for random numbers, eliminated unnecessary calculation when generating random numbers
-
Peter Eastman authored
-
- 05 Apr, 2013 1 commit
-
-
Peter Eastman authored
-