Commits · d0ce27f1f5513d3511e873f07505d15d29c483be · tsoc / openmm

"vscode:/vscode.git/clone" did not exist on "537912e44f084b773be5004a24aff5c94a36afd5"

12 Nov, 2009 1 commit
- Optimization to evaluating tabulated functions · d0ce27f1
  Peter Eastman authored Nov 12, 2009
  
  d0ce27f1
11 Nov, 2009 7 commits
- Added support for subexpressions · e1a7bc3d
  Peter Eastman authored Nov 11, 2009
  
  e1a7bc3d
- Remove doubling of nonbonded buffers for OBC & GB/VI · e09764b5
  Mark Friedrichs authored Nov 11, 2009
  
  e09764b5
- Inactivate diagnostic · 29fa0870
  Mark Friedrichs authored Nov 11, 2009
  
  29fa0870
- Mods to remove requirement that nonbonded force buffer size should be doubled for GB/VI and OBC · 7b89b1bf
  Mark Friedrichs authored Nov 11, 2009
  
  7b89b1bf
- 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 3 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
- Added missing kReduceObcGbsaSoftcoreBornForces · f3aa6be9
  Mark Friedrichs authored Nov 10, 2009
  
  f3aa6be9
09 Nov, 2009 4 commits
- Bug fix · aa4f6c62
  Peter Eastman authored Nov 09, 2009
  
  aa4f6c62
- Added ReferenceFreeEnergyPlatform & CudaFreeEnergyPlatform · 6d1814ac
  Mark Friedrichs authored Nov 09, 2009
  
  6d1814ac
- NonPolarPrefactor for GBSA OBC was missing for CudaPlatform · 0d42a187
  Mark Friedrichs authored Nov 09, 2009
  
  0d42a187
- Softcore factor multiplying LJ eps is now lambda^4 instead of lambda^1 · c9e927a5
  Mark Friedrichs authored Nov 09, 2009
```
Removed references to softCoreLJLambda in NonbondedSoftcoreForce
```
  c9e927a5
07 Nov, 2009 1 commit
- Fixed two bugs · 8365dede
  Peter Eastman authored Nov 07, 2009
  
  8365dede
06 Nov, 2009 5 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
- Added TestReferenceGBVISoftcoreForce and repaired TestCudaGBVISoftcoreForce · 50f8b9fa
  Mark Friedrichs authored Nov 06, 2009
```
Removed print cruft
```
  50f8b9fa
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 5 commits
- GB/VI test for Cuda platform · 9b6ddf42
  Mark Friedrichs authored Nov 04, 2009
  
  9b6ddf42
- Removed warnings if number of particles == 1 · eeb94849
  Mark Friedrichs authored Nov 04, 2009
  
  eeb94849
- Fixed GB/VI test · 1902a137
  Mark Friedrichs authored Nov 04, 2009
  
  1902a137
- Minor optimization · 6913676a
  Peter Eastman authored Nov 04, 2009
  
  6913676a
- Minor code simplification · 32f5e1d4
  Peter Eastman authored Nov 04, 2009
  
  32f5e1d4
03 Nov, 2009 11 commits
- Fixes to make Windows happier · fb249907
  Mark Friedrichs authored Nov 03, 2009
  
  fb249907
- Removed annoying message · bdc4754a
  Mark Friedrichs authored Nov 03, 2009
  
  bdc4754a
- 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
- Added support for sinh(), cosh(), and tanh() functions. · 43ebedfb
  Peter Eastman authored Nov 03, 2009
  
  43ebedfb
- A few optimizations. Also added a new test case. · 48d93893
  Peter Eastman authored Nov 03, 2009
  
  48d93893
02 Nov, 2009 1 commit
- Finished OpenCL implementation of CustomNonbondedForce. Also implemented a few optimizations. · 72d59cbe
  Peter Eastman authored Nov 02, 2009
  
  72d59cbe