Commits · 3e0925fe90f10b138ec3efc9c408a4c2b8efe119 · tsoc / openmm

18 Dec, 2009 1 commit
- Bug fixes · 3e0925fe
  Peter Eastman authored Dec 18, 2009
  
  3e0925fe
17 Dec, 2009 2 commits
- Completed OpenCL FFT · 8316aba0
  Peter Eastman authored Dec 17, 2009
  
  8316aba0
- Implementing FFT for OpenCL · 7901ce20
  Peter Eastman authored Dec 17, 2009
  
  7901ce20
15 Dec, 2009 1 commit
- Improved accuracy of torsions for small angles in CUDA and OpenCL platforms · 1e216bbc
  Peter Eastman authored Dec 15, 2009
  
  1e216bbc
11 Dec, 2009 1 commit

Use a consistent (and more accurate) value for electric constant everywhere. ... · 042ab1aa

Peter Eastman authored Dec 11, 2009

Use a consistent (and more accurate) value for electric constant everywhere.  Also cleaned up handling of constants and units in various places.

042ab1aa

10 Dec, 2009 3 commits
- Optimizations to expression processing in CustomGBForce · 803b8678
  Peter Eastman authored Dec 10, 2009
  
  803b8678
- Fixed bugs in OpenCL implementation of CustomGBForce · f11a6aea
  Peter Eastman authored Dec 10, 2009
  
  f11a6aea
- Continuing OpenCL implementation of CustomGBForce · 09777f85
  Peter Eastman authored Dec 10, 2009
  
  09777f85
09 Dec, 2009 1 commit
- Continuing OpenCL implementation of CustomGBForce · 7eec4930
  Peter Eastman authored Dec 09, 2009
  
  7eec4930
08 Dec, 2009 1 commit
- Continuing OpenCL implementation of CustomGBForce · 9ed2c870
  Peter Eastman authored Dec 08, 2009
  
  9ed2c870
05 Dec, 2009 2 commits
- Continuing OpenCL implementation of CustomGBForce · a966a981
  Peter Eastman authored Dec 05, 2009
  
  a966a981
- Beginnings of OpenCL implementation of CustomGBForce · 51fc3bd2
  Peter Eastman authored Dec 05, 2009
  
  51fc3bd2
01 Dec, 2009 1 commit
- Changed how plugin initialization is done to avoid initialization order problems · 32946009
  Peter Eastman authored Dec 01, 2009
  
  32946009
25 Nov, 2009 1 commit

Added a version of Platform::getPlatform() that looks up platforms by name. ... · cfcebe26

Peter Eastman authored Nov 25, 2009

Added a version of Platform::getPlatform() that looks up platforms by name.  Added a Context constructor that allows platform-specific properties to be specified.

cfcebe26

24 Nov, 2009 1 commit
- Preliminary implementation of CustomGBForce · b5edab67
  Peter Eastman authored Nov 24, 2009
  
  b5edab67
19 Nov, 2009 1 commit
- Implemented step function in custom expressions · 2f81944d
  Peter Eastman authored Nov 19, 2009
  
  2f81944d
18 Nov, 2009 2 commits
- Fixed compilation errors under Windows · 15899649
  Peter Eastman authored Nov 18, 2009
  
  15899649
- Custom forces in OpenCL platform support an unlimited number of parameters · 8a1641ff
  Peter Eastman authored Nov 18, 2009
  
  8a1641ff
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 2 commits
- 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 1 commit
- Created OpenCL implementation of CustomExternalForce. Also fixed a bug. · 67b261f6
  Peter Eastman authored Nov 11, 2009
  
  67b261f6
10 Nov, 2009 1 commit
- Created OpenCL implementation of CustomBondForce · 1f6802f9
  Peter Eastman authored Nov 10, 2009
  
  1f6802f9
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 1 commit
- Created OpenCL implementation of CMMotionRemover. Also made a few optimizations. · f2391672
  Peter Eastman authored Nov 05, 2009
  
  f2391672
04 Nov, 2009 1 commit
- Minor optimization · 6913676a
  Peter Eastman authored Nov 04, 2009
  
  6913676a
03 Nov, 2009 2 commits
- 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
30 Oct, 2009 1 commit
- Began OpenCL implementation of CustomNonbondedForce · 84d482e2
  Peter Eastman authored Oct 30, 2009
  
  84d482e2
28 Oct, 2009 2 commits
- Increased tolerance on test cases that failed intermittently · 986d88af
  Peter Eastman authored Oct 28, 2009
  
  986d88af
- Created OpenCL implementation of GBSAOBCForce that works with non-Nvidia processors · 95e059dc
  Peter Eastman authored Oct 28, 2009
  
  95e059dc