- 19 Jun, 2013 1 commit
-
-
peastman authored
-
- 18 Jun, 2013 1 commit
-
-
peastman authored
-
- 17 Jun, 2013 1 commit
-
-
peastman authored
-
- 14 Jun, 2013 1 commit
-
-
peastman authored
-
- 13 Jun, 2013 1 commit
-
-
peastman authored
-
- 04 Jun, 2013 4 commits
-
-
https://github.com/peastman/openmmPeter authored
-
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.
-
Yutong Zhao authored
Bug fix to Modeller
-
peastman authored
-
- 03 Jun, 2013 3 commits
-
-
Yutong Zhao authored
Improved error checking
-
peastman authored
-
Yutong Zhao authored
Implemented RPMD ring polymer contraction
-
- 01 Jun, 2013 1 commit
-
-
peastman authored
-
- 31 May, 2013 2 commits
- 30 May, 2013 2 commits
-
-
-
peastman authored
-
- 29 May, 2013 3 commits
-
-
peastman authored
Add support for long long shuffle
-
Yutong Zhao authored
-
Yutong Zhao authored
Improved infrastructure for integrators
-
- 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 17 commits
-
-
Yutong Zhao authored
Bug fixes to use of shuffle
-
peastman authored
-
peastman authored
-
Yutong Zhao authored
Completed implementation of DrudeSCFIntegrator. Also cleaned up other details of Drude plugin.
-
peastman authored
-
peastman authored
-
peastman authored
-
peastman authored
-
https://github.com/peastman/openmmPeter authored
-
peastman authored
Nonbonded.cu now uses shuffle intrinsic
-
Yutong Zhao authored
-
Yutong Zhao authored
-
Yutong Zhao authored
-
-
Yutong Zhao authored
-
peastman authored
-
Yutong Zhao authored
Fixed linker errors on Windows
-
- 23 May, 2013 2 commits
-
-
Peter Eastman authored
-
Yutong Zhao authored
Fixes to a couple of bugs (in CustomIntegrator and DrudeLangevinIntegrator)
-
