Commits · b801983904fdeb688c48b5609feac109a4c0be52 · tsoc / openmm

18 Nov, 2009 4 commits
- Mods for Windows · b8019839
  Mark Friedrichs authored Nov 18, 2009
  
  b8019839
- Mods to get rng to compile on Linux · 0d19a61c
  Mark Friedrichs authored Nov 18, 2009
  
  0d19a61c
- Mods to get rng to compile on Windows · 35daf780
  Mark Friedrichs authored Nov 18, 2009
  
  35daf780
- Change double to RealOpenMM to remove build warnings · c4b8ba2d
  Mark Friedrichs authored Nov 18, 2009
  
  c4b8ba2d
17 Nov, 2009 3 commits
- Created CUDA implementation of CustomExternalForce · 77d3b647
  Peter Eastman authored Nov 17, 2009
  
  77d3b647
- Put more reasonable tolerances into test case for random number generator · 20b02641
  Peter Eastman authored Nov 17, 2009
  
  20b02641
- Redesigned CustomNonbondedForce to eliminate combining rules and allow the... · 70015b75
  Peter Eastman authored Nov 17, 2009
```
Redesigned CustomNonbondedForce to eliminate combining rules and allow the expression to directly use parameters for individual particles.
```
  70015b75
13 Nov, 2009 1 commit
- Eliminated use of rand() and srand(), which are not thread safe · 37b2436e
  Peter Eastman authored Nov 13, 2009
  
  37b2436e
12 Nov, 2009 7 commits
- Created CUDA implementation of CustomBondForce · bcbd7dc1
  Peter Eastman authored Nov 12, 2009
  
  bcbd7dc1
- Disabled building static library for CUDA plugin · 0de2ac88
  Peter Eastman authored Nov 12, 2009
  
  0de2ac88
- Set private entries for integrators · 0a38a824
  Mark Friedrichs authored Nov 12, 2009
  
  0a38a824
- Initialized prevTemp, prevFriction, prevStepSize · 0d29e962
  Mark Friedrichs authored Nov 12, 2009
  
  0d29e962
- Removed reference to srand()/rand() due to thread-safety concerns; · c3c6724a
  Mark Friedrichs authored Nov 12, 2009
```
replaced w/ the "KISS" (Keep It Simple Stupid) random number generator implemented in rng.h & rng.cpp
```
  c3c6724a
- Optimization to evaluating integral powers in custom expressions · 1e52c490
  Peter Eastman authored Nov 12, 2009
  
  1e52c490
- Optimization to evaluating tabulated functions · d0ce27f1
  Peter Eastman authored Nov 12, 2009
  
  d0ce27f1
11 Nov, 2009 4 commits
- Remove doubling of nonbonded buffers for OBC & GB/VI · e09764b5
  Mark Friedrichs authored Nov 11, 2009
  
  e09764b5
- Created OpenCL implementation of CustomExternalForce. Also fixed a bug. · 67b261f6
  Peter Eastman authored Nov 11, 2009
  
  67b261f6
- Fixed a broken test case · 20e2483b
  Peter Eastman authored Nov 11, 2009
  
  20e2483b
- Created CustomExternalForce, along with the reference implementation · dc556529
  Peter Eastman authored Nov 11, 2009
  
  dc556529
10 Nov, 2009 2 commits
- Created OpenCL implementation of CustomBondForce · 1f6802f9
  Peter Eastman authored Nov 10, 2009
  
  1f6802f9
- Created CustomBondForce, along with the reference implementation · 3eb561ad
  Peter Eastman authored Nov 10, 2009
  
  3eb561ad
09 Nov, 2009 1 commit
- Bug fix · aa4f6c62
  Peter Eastman authored Nov 09, 2009
  
  aa4f6c62
07 Nov, 2009 1 commit
- Fixed two bugs · 8365dede
  Peter Eastman authored Nov 07, 2009
  
  8365dede
06 Nov, 2009 4 commits
- Created OpenCL implementations of AndersenThermostat and BrownianIntegrator. Also fixed some bugs. · cc5467e7
  Peter Eastman authored Nov 06, 2009
  
  cc5467e7
- Fixed compilation error on AMD's OpenCL implementation · 13d89753
  Peter Eastman authored Nov 06, 2009
  
  13d89753
- Bug fix · de04cdb3
  Peter Eastman authored Nov 06, 2009
  
  de04cdb3
- Created (not yet fully debugged) OpenCL implementation of... · 3cf5495a
  Peter Eastman authored Nov 06, 2009
```
Created (not yet fully debugged) OpenCL implementation of VariableVerletIntegrator and VariableLangevinIntegrator.
```
  3cf5495a
05 Nov, 2009 2 commits
- Missing registerKernelFactory() call for GB/VI force · 917a39c0
  Mark Friedrichs authored Nov 05, 2009
  
  917a39c0
- Created OpenCL implementation of CMMotionRemover. Also made a few optimizations. · f2391672
  Peter Eastman authored Nov 05, 2009
  
  f2391672
04 Nov, 2009 3 commits
- GB/VI test for Cuda platform · 9b6ddf42
  Mark Friedrichs authored Nov 04, 2009
  
  9b6ddf42
- Fixed GB/VI test · 1902a137
  Mark Friedrichs authored Nov 04, 2009
  
  1902a137
- Minor optimization · 6913676a
  Peter Eastman authored Nov 04, 2009
  
  6913676a
03 Nov, 2009 8 commits
- Fixes to make Windows happier · fb249907
  Mark Friedrichs authored Nov 03, 2009
  
  fb249907
- Added toggle for FreeEnergy plugin tests · 62433abd
  Mark Friedrichs authored Nov 03, 2009
  
  62433abd
- Missing file · 6ac1a3cb
  Mark Friedrichs authored Nov 03, 2009
  
  6ac1a3cb
- Missing file · 783c2115
  Mark Friedrichs authored Nov 03, 2009
  
  783c2115
- Another missing file · f704ac01
  Mark Friedrichs authored Nov 03, 2009
  
  f704ac01
- Missing files · 29cf1500
  Mark Friedrichs authored Nov 03, 2009
  
  29cf1500
- Missing pGBVIData · b0115d73
  Mark Friedrichs authored Nov 03, 2009
  
  b0115d73
- dded GB/VI to Cuda platform · 7a36f461
  Mark Friedrichs authored Nov 03, 2009
```
Free energy plugin added
Plugin will not run w/ Obc or GB/VI forces unless line 2004 of gpu.cpp (gpu->sim.totalNonbondOutputBuffers  = 2*gpu->sim.nonbondOutputBuffers;) is commented in -- working on removing this constraint
Also unit tests for GB/VI currently fail 
```
  7a36f461