Commits · 80dde429db2201009b91813a9605e0f1a5664110 · tsoc / openmm

15 Aug, 2013 10 commits
- Merge pull request #109 from peastman/master · 80dde429
  peastman authored Aug 15, 2013
```
Avoid nans when using PME with Drude particles
```
  80dde429
- Avoid nans when using PME with Drude particles · f4f5b568
  peastman authored Aug 15, 2013
  
  f4f5b568
- Merge pull request #108 from peastman/master · 68632d78
  peastman authored Aug 15, 2013
```
PDBFile was using the wrong data type for its unit cell dimensions
```
  68632d78
- PDBFile was using the wrong data type for its unit cell dimensions · 8f6d3ec1
  peastman authored Aug 15, 2013
  
  8f6d3ec1
- Merge pull request #107 from peastman/master · 0c661886
  peastman authored Aug 15, 2013
```
Various bug fixes
```
  0c661886
- Fixed an overly sensitive test case that tended to fail · d74c8d0c
  peastman authored Aug 15, 2013
  
  d74c8d0c
- Fixed crash due to a kernel's arguments having changed · 01622931
  peastman authored Aug 15, 2013
  
  01622931
- Fixed bug under certain compilers · 56323ff2
  peastman authored Aug 15, 2013
  
  56323ff2
- Merge pull request #106 from peastman/master · af408590
  peastman authored Aug 14, 2013
```
Improvements to Gromacs file processing
```
  af408590
- Improvements to Gromacs file processing · 751e7a31
  peastman authored Aug 14, 2013
  
  751e7a31
14 Aug, 2013 7 commits
- Merge pull request #105 from peastman/master · 246f0123
  peastman authored Aug 14, 2013
```
Assorted code cleanup
```
  246f0123
- Simplified reference platform code for processing nonbonded exclusions · 4b129949
  peastman authored Aug 14, 2013
  
  4b129949
- simtk.openmm.__version__ always matches the OpenMM version number · 21fc406b
  peastman authored Aug 14, 2013
  
  21fc406b
- Merge pull request #104 from peastman/master · 98772b9f
  peastman authored Aug 14, 2013
```
Fixed some compilation errors
```
  98772b9f
- Fixed compilation errors on Windows · 922bda97
  Peter Eastman authored Aug 14, 2013
  
  922bda97
- Fixed the C and Fortran wrappers, which were broken by the addition of interaction groups · e7233c70
  peastman authored Aug 14, 2013
  
  e7233c70
- Merge pull request #98 from peastman/groups · c4403e70
  peastman authored Aug 13, 2013
```
CustomNonbondedForce can restrict the computation to particular groups of atoms
```
  c4403e70
13 Aug, 2013 2 commits
- Implemented long range correction for interaction groups · a11a0a56
  peastman authored Aug 13, 2013
  
  a11a0a56
- Bug fixes to interaction groups · b2af59a8
  peastman authored Aug 13, 2013
  
  b2af59a8
08 Aug, 2013 2 commits
- Finished OpenCL implementation of interaction groups · 4ea10969
  peastman authored Aug 08, 2013
  
  4ea10969
- Began creating OpenCL implementation of CustomNonbondedForce interaction groups · 54c0ca3f
  peastman authored Aug 08, 2013
  
  54c0ca3f
07 Aug, 2013 3 commits
- Bug fixes and an optimization to CustomNonbondedForce with interaction groups · aba74fd8
  peastman authored Aug 07, 2013
  
  aba74fd8
- Fixed Python API for CustomNonbondedForce.addInteractionGroup() · 5aebb617
  peastman authored Aug 07, 2013
  
  5aebb617
- Created CUDA implementation of restricting CustomNonbondedForce to selected interaction groups · 09611266
  peastman authored Aug 07, 2013
  
  09611266
05 Aug, 2013 1 commit
- Created API and reference implementation of restricting CustomNonbondedForce... · 9840ca70
  peastman authored Aug 05, 2013
```
Created API and reference implementation of restricting CustomNonbondedForce to selected interaction groups
```
  9840ca70
02 Aug, 2013 11 commits
- Merge pull request #94 from peastman/master · ce8d6a2d
  peastman authored Aug 02, 2013
```
Fixed some compilation errors
```
  ce8d6a2d
- Merge branch 'master' of https://github.com/peastman/openmm · 615ab134
  Peter Eastman authored Aug 02, 2013
  
  615ab134
- Fixed compilation error on Windows · 01f21089
  Peter Eastman authored Aug 02, 2013
  
  01f21089
- Fixed compilation errors on compilers that do not enable SSE by default · c04bc137
  peastman authored Aug 02, 2013
  
  c04bc137
- Merge pull request #93 from peastman/master · 7541ca00
  peastman authored Aug 02, 2013
```
Get the version number from the CMake script
```
  7541ca00
- Get the version number from the CMake script · 54ef6b4c
  peastman authored Aug 02, 2013
  
  54ef6b4c
- Merge pull request #89 from rmcgibbo/gitversion · 9d11cedc
  peastman authored Aug 02, 2013
```
create a simtk.openmm.version module that contains the git revision
```
  9d11cedc
- Merge pull request #92 from peastman/master · c29c1d57
  peastman authored Aug 02, 2013
```
Speed optimization to GromacsTopFile
```
  c29c1d57
- Merge branch 'master' of https://github.com/SimTk/openmm · 8060c45f
  Peter Eastman authored Aug 02, 2013
  
  8060c45f
- Speed optimization to GromacsTopFile · 93055791
  peastman authored Aug 02, 2013
  
  93055791
- Merge pull request #87 from peastman/molecules · ea65f7c2
  peastman authored Aug 02, 2013
```
Eliminated a potential stack overflow when identifying molecules
```
  ea65f7c2
01 Aug, 2013 4 commits
- Merge pull request #90 from peastman/master · 01e5d92a
  peastman authored Aug 01, 2013
```
Moved Python app layer tests into the main source tree
```
  01e5d92a
- Moved Python app layer tests into the main source tree · d1d74008
  peastman authored Aug 01, 2013
  
  d1d74008
- dont want to double quote · 4ed33ef5
  Robert McGibbon authored Aug 01, 2013
  
  4ed33ef5
- create a simtk.openmm.version module that contains the git revision · 509373c6
  Robert McGibbon authored Aug 01, 2013
  
  509373c6