Commits · 0c4537146ea95949e49d597a61bcb1cad0cd5c08 · tsoc / openmm

19 Sep, 2015 1 commit
- Add typemaps · 0c453714
  Robert McGibbon authored Sep 19, 2015
  
  0c453714
18 Sep, 2015 5 commits
- Merge pull request #1137 from peastman/periodic · 4c696473
  peastman authored Sep 18, 2015
```
Created periodicdistance() function for CustomExternalForce
```
  4c696473
- Created OpenCL implementation of periodicdistance() · eaef52d9
  peastman authored Sep 18, 2015
  
  eaef52d9
- Finished CUDA implementation of periodicdistance() · 91a8cc49
  Peter Eastman authored Sep 18, 2015
  
  91a8cc49
- Began CUDA implementation of periodicdistance() function for CustomExternalForce · 0b77ab91
  peastman authored Sep 18, 2015
  
  0b77ab91
- Reference implementation of periodicdistance() function for CustomExternalForce · cceb3171
  peastman authored Sep 18, 2015
  
  cceb3171
15 Sep, 2015 2 commits
- Merge pull request #1135 from rmcgibbo/typemaps2 · 69fd88d7
  peastman authored Sep 15, 2015
```
More typechecks
```
  69fd88d7
- More typechecks · fbf13b1d
  Robert McGibbon authored Sep 01, 2015
  
  fbf13b1d
11 Sep, 2015 5 commits
- Merge pull request #1133 from rafwiewiora/amberffconv · 992487c6
  peastman authored Sep 11, 2015
```
Resolve sigma = 0 problems from processAmberForceField
```
  992487c6
- modify processAmberForceField.py to resolve the sigma = 0 problems · e060e7c4
  Rafal P. Wiewiora authored Sep 11, 2015
  
  e060e7c4
- Merge pull request #1132 from peastman/tileorder · b9b2b7a3
  peastman authored Sep 11, 2015
```
Minor optimization on AMD GPUs
```
  b9b2b7a3
- Minor optimization on AMD GPUs · c400a83b
  peastman authored Sep 11, 2015
  
  c400a83b
- Merge pull request #1131 from peastman/cudabug · 8a76aa72
  peastman authored Sep 10, 2015
```
Workaround for bug in CUDA 7.5
```
  8a76aa72
10 Sep, 2015 5 commits
- Workaround for bug in CUDA 7.5 · 9a7d1e0d
  Peter Eastman authored Sep 10, 2015
  
  9a7d1e0d
- Merge pull request #1130 from peastman/platformenv · be1aaffd
  peastman authored Sep 10, 2015
```
Created OPENMM_DEFAULT_PLATFORM environment variable
```
  be1aaffd
- Created OPENMM_DEFAULT_PLATFORM environment variable · 3fa88060
  peastman authored Sep 10, 2015
  
  3fa88060
- Merge pull request #1129 from peastman/amoebamts · 119944af
  peastman authored Sep 10, 2015
```
Use MTSIntegrator for AMOEBA benchmarks
```
  119944af
- Use MTSIntegrator for AMOEBA benchmarks · 916f273e
  Peter Eastman authored Sep 10, 2015
  
  916f273e
09 Sep, 2015 4 commits
- Merge pull request #1128 from peastman/cufft · 9a3877b9
  peastman authored Sep 09, 2015
```
Reenabled cuFFT on CUDA 7.5 or later
```
  9a3877b9
- Reenabled cuFFT on CUDA 7.5 or later · ec9cbc4b
  Peter Eastman authored Sep 09, 2015
  
  ec9cbc4b
- Merge pull request #1127 from peastman/centroidbugs · 12e8a362
  peastman authored Sep 09, 2015
```
Fixed various bugs in CustomCentroidBondForce
```
  12e8a362
- Fixed various bugs in CustomCentroidBondForce · 4a3f1743
  peastman authored Sep 09, 2015
  
  4a3f1743
04 Sep, 2015 4 commits
- Merge pull request #1125 from peastman/deviceindex · 73477877
  peastman authored Sep 04, 2015
```
Throw an exception if an illegal device or platform index is specified
```
  73477877
- Throw an exception if an illegal device or platform index is specified · d5f5193f
  peastman authored Sep 04, 2015
  
  d5f5193f
- Merge pull request #1124 from peastman/license · 8dece9f1
  peastman authored Sep 04, 2015
```
Improved placement of license information in manuals
```
  8dece9f1
- Improved placement of license information in manuals · 4cf722ab
  peastman authored Sep 04, 2015
  
  4cf722ab
03 Sep, 2015 9 commits
- Merge pull request #1122 from peastman/xmlversion · 4d83ca8c
  peastman authored Sep 03, 2015
```
Added openmmVersion attribute to serialized XML files
```
  4d83ca8c
- Added openmmVersion attribute to serialized XML files · 19991c7e
  peastman authored Sep 03, 2015
  
  19991c7e
- Merge pull request #1121 from peastman/gcc · a440d0cf
  peastman authored Sep 03, 2015
```
Fixed compilation error with gcc
```
  a440d0cf
- Fixed compilation error with gcc · 1c3e2d6f
  peastman authored Sep 03, 2015
  
  1c3e2d6f
- Merge pull request #1120 from peastman/pmeparams · 457d7bd2
  peastman authored Sep 03, 2015
```
Created getPMEParametersInContext()
```
  457d7bd2
- Added AmoebaMultipoleForce::getPMEParametersInContext() · b20fe9a6
  peastman authored Sep 03, 2015
  
  b20fe9a6
- One file that got missed in the last commit · 0f5f5334
  peastman authored Sep 03, 2015
  
  0f5f5334
- Added NonbondedForce::getPMEParametersInContext() · 4c6d48ba
  peastman authored Sep 03, 2015
  
  4c6d48ba
- Merge pull request #1119 from peastman/centroid · cef58048
  peastman authored Sep 03, 2015
```
Created CustomCentroidBondForce
```
  cef58048
02 Sep, 2015 5 commits
- Added CustomCentroidBondForce to OpenMM.h · ca805216
  peastman authored Sep 02, 2015
  
  ca805216
- Added documentation for CustomCentroidBondForce · 03a0e9d2
  peastman authored Sep 02, 2015
  
  03a0e9d2
- Created OpenCL version of CustomCentroidBondForce · 7893f59a
  peastman authored Sep 02, 2015
  
  7893f59a
- Finished CUDA version of CustomCentroidBondForce · 5d9fc98b
  peastman authored Sep 02, 2015
  
  5d9fc98b
- Began CUDA version of CustomCentroidBondForce · 4d823b0a
  peastman authored Sep 02, 2015
  
  4d823b0a