Commits · 8f2f6e3963d9b55f7b2e2dabfc475295a35f9ed8 · tsoc / openmm

29 Oct, 2008 2 commits
- Renamed GBSAOBCForceField to GBSAOBCForce. · 3c100e69
  Peter Eastman authored Oct 29, 2008
  
  3c100e69
- Created Cuda implementation of AndersenThermostat. Tweaked test cases for BrownianIntegrator. · 1b2ebaf0
  Peter Eastman authored Oct 29, 2008
  
  1b2ebaf0
27 Oct, 2008 1 commit
- Created Cuda implementation of BrownianIntegrator · 39557436
  Peter Eastman authored Oct 27, 2008
  
  39557436
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
21 Oct, 2008 1 commit
- Periodic box size is specified with box vectors instead of widths · 8078c417
  Peter Eastman authored Oct 21, 2008
  
  8078c417
20 Oct, 2008 1 commit
- Working on making the GBSA test cases pass · bf9898e6
  Peter Eastman authored Oct 20, 2008
  
  bf9898e6
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
24 Sep, 2008 1 commit
- Fixed lots of errors and warnings compiling under Windows · 04ea8ce9
  Peter Eastman authored Sep 24, 2008
  
  04ea8ce9
19 Sep, 2008 1 commit
- Attempting to get Cuda code to compile · 18c9a78a
  Peter Eastman authored Sep 19, 2008
  
  18c9a78a
14 Aug, 2008 1 commit
- Continuing implementation of Cuda platform · ff88ddad
  Peter Eastman authored Aug 14, 2008
  
  ff88ddad
18 Jul, 2008 1 commit
- Implemented cutoffs for 1-4 nonbonded interactions · 9cea4582
  Peter Eastman authored Jul 18, 2008
  
  9cea4582
12 Jul, 2008 1 commit
- Implemented cutoffs and periodic boundary conditions for reference platform · f189c547
  Peter Eastman authored Jul 12, 2008
  
  f189c547
09 Jul, 2008 1 commit
- Added neighbor list code · 1d7ac0e2
  Christopher Bruns authored Jul 09, 2008
  
  1d7ac0e2
04 Jun, 2008 1 commit
- Began implementing CudaPlatform · 74a8266f
  Peter Eastman authored Jun 04, 2008
  
  74a8266f
16 May, 2008 1 commit
- Implemented center of mass motion removal for OpenMM · 0b662b49
  Peter Eastman authored May 16, 2008
  
  0b662b49
02 May, 2008 1 commit
- Created reference implementation of AndersenThermostat · a5288d55
  Peter Eastman authored May 02, 2008
  
  a5288d55
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
22 Apr, 2008 1 commit
- Continuing to implement ReferencePlatform (kernels for StandardMMForceField are done). · 2a530882
  Peter Eastman authored Apr 22, 2008
  
  2a530882