Commits · 1b9ab82bbbee05223348c9812266c599a2fffce4 · tsoc / openmm

31 Mar, 2009 1 commit
- Preliminary implementation of LINCS (both reference and Cuda) · 72872e97
  Peter Eastman authored Mar 31, 2009
  
  72872e97
20 Feb, 2009 1 commit

Implemented setting random seed for reference platform, as well as adding it... · eb0bba22

Peter Eastman authored Feb 20, 2009

Implemented setting random seed for reference platform, as well as adding it as an option to BrownianIntegrator and AndersenThermostat.

eb0bba22

18 Nov, 2008 1 commit
- Fixed a test case that was failing, and enhanced several others · 806232c3
  Peter Eastman authored Nov 18, 2008
  
  806232c3
22 Oct, 2008 2 commits
- Renamed "atoms" to "particles" · 62c4fd53
  Peter Eastman authored Oct 22, 2008
  
  62c4fd53
- Split StandardMMForceField into separate classes for each force term. · ad75a390
  Peter Eastman authored Oct 22, 2008
  
  ad75a390
16 Oct, 2008 1 commit

Changed how kernels get initialized. StandardMMForceField now has you set the... · a138663d

Peter Eastman authored Oct 16, 2008

Changed how kernels get initialized.  StandardMMForceField now has you set the 1-4 interactions explicitly.  CMMotionRemover allows the removal frequency to be set.

a138663d

15 Oct, 2008 1 commit
- Finished incorporating Cuda code into OpenMM · 099b8e55
  Peter Eastman authored Oct 15, 2008
  
  099b8e55
11 Oct, 2008 1 commit
- Incorporating Cuda code into OpenMM · 5c4a033f
  Peter Eastman authored Oct 11, 2008
  
  5c4a033f
29 Apr, 2008 3 commits
- Created reference implementation of VerletIntegrator · f14182c5
  Peter Eastman authored Apr 29, 2008
  
  f14182c5
- Created reference implementation of BrownianIntegrator · 5c4be2f0
  Peter Eastman authored Apr 29, 2008
  
  5c4be2f0
- Continuing to implement ReferencePlatform (implemented GBSA kernels, added... · 2cfc6821
  Peter Eastman authored Apr 29, 2008
```
Continuing to implement ReferencePlatform (implemented GBSA kernels, added test case for SHAKE and fixed some bugs in it)
```
  2cfc6821
25 Apr, 2008 2 commits
- Added SFMT as a random number generator for the reference platform. · 0aad1354
  Peter Eastman authored Apr 25, 2008
  
  0aad1354
- Continuing to implement ReferencePlatform (implemented kinetic energy... · 85da5e0f
  Peter Eastman authored Apr 25, 2008
```
Continuing to implement ReferencePlatform (implemented kinetic energy calculation and LangevinIntegrator)
```
  85da5e0f