Commits · 1d5c74173329d5e31c1adb74a91faba687f4f392 · tsoc / openmm

24 Sep, 2015 1 commit
- Added default values for some arguments · 1d5c7417
  Peter Eastman authored Sep 24, 2015
  
  1d5c7417
23 Sep, 2015 7 commits
- Merge pull request #1143 from peastman/variables · 11d2d8ae
  peastman authored Sep 23, 2015
```
Added error checking for illegal variable names
```
  11d2d8ae
- Added error checking for illegal variable names · 213fbc03
  Peter Eastman authored Sep 23, 2015
  
  213fbc03
- Merge pull request #1142 from peastman/tests · 5e1a87fb
  peastman authored Sep 23, 2015
```
Refactored test cases
```
  5e1a87fb
- Fixed a failing test case · cece0cdb
  Peter Eastman authored Sep 23, 2015
  
  cece0cdb
- Finished refactoring test cases · 8b5d3dc0
  Peter Eastman authored Sep 23, 2015
  
  8b5d3dc0
- Merge pull request #1140 from peastman/energy · b11af401
  peastman authored Sep 23, 2015
```
Changes to generating nonbonded kernels
```
  b11af401
- Continuing to refactor tests · 2f553a66
  Peter Eastman authored Sep 23, 2015
  
  2f553a66
22 Sep, 2015 2 commits
- Continuing to refactor tests · 4ed151e1
  Peter Eastman authored Sep 22, 2015
  
  4ed151e1
- Continuing to refactor tests · ccd811da
  Peter Eastman authored Sep 22, 2015
  
  ccd811da
21 Sep, 2015 4 commits
- Changes to generating nonbonded kernels · a47300e6
  Peter Eastman authored Sep 21, 2015
  
  a47300e6
- Began refactoring of tests to eliminate duplicated code · a5a52dd1
  Peter Eastman authored Sep 21, 2015
  
  a5a52dd1
- Merge pull request #1139 from peastman/periodic · a2d5b985
  peastman authored Sep 21, 2015
```
Fixed CustomExternalForce::usesPeriodicBoundaryConditions()
```
  a2d5b985
- Fixed CustomExternalForce::usesPeriodicBoundaryConditions() · 9e1145ac
  peastman authored Sep 21, 2015
  
  9e1145ac
20 Sep, 2015 1 commit
- Merge pull request #1138 from rmcgibbo/typemap-vecvec · 2dee12e6
  peastman authored Sep 19, 2015
```
Typemaps
```
  2dee12e6
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 3 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