Commits · 5069c6681e1288da718975704697000b85f3f687 · tsoc / openmm

"platforms/brook/src/BrookIntegrateLangevinStepKernel.h" did not exist on "2a53088236129e8a85e7d63965d8cce56212ba25"

10 Mar, 2015 2 commits
- Merge pull request #847 from peastman/parallel · 5069c668
  peastman authored Mar 10, 2015
```
Bug fixes to multi-GPU simulations
```
  5069c668
- More bug fixes to multi-GPU · f7ef2dd0
  peastman authored Mar 10, 2015
  
  f7ef2dd0
06 Mar, 2015 4 commits
- Merge pull request #845 from peastman/pme · 2554db18
  peastman authored Mar 06, 2015
```
Cleanup and simplification to reference AMOEBA multipole force
```
  2554db18
- Cleanup and simplification to reference AMOEBA multipole force · 84c9bcdb
  peastman authored Mar 06, 2015
  
  84c9bcdb
- For multi-GPU, exceeding the size of the neighbor list causes the forces to be marked as invalid · bd666c27
  peastman authored Mar 06, 2015
  
  bd666c27
- Load balancing between GPUs forces the neighbor list to be rebuilt · 62f7c44c
  peastman authored Mar 06, 2015
  
  62f7c44c
05 Mar, 2015 4 commits
- Merge pull request #844 from swails/master · 1f12f286
  peastman authored Mar 05, 2015
```
Update `Topology` creation from CHARMM parsers and fix Amber prmtop parsing when %COMMENT sections are present
```
  1f12f286
- Add a %COMMENT to this prmtop file to test that it's parsed correctly. · 0a0e3ba3
  Jason Swails authored Mar 05, 2015
  
  0a0e3ba3
- prmtop files can have %COMMENT sections in them between the %FLAG and %FORMAT · 84bc63a1
  Jason Swails authored Mar 05, 2015
```
flags. This can cause a KeyError when trying to look up the format of the
current section when it's reading the %COMMENT line (before any Format has been
assigned).
```
  84bc63a1
- Have the CHARMM parsers use the Topology API additions. · e5ffa905
  Jason Swails authored Feb 26, 2015
  
  e5ffa905
04 Mar, 2015 2 commits
- Merge pull request #843 from peastman/ids · b0ecf372
  peastman authored Mar 03, 2015
```
Added keepIds flag to PDBFile.writeFile()
```
  b0ecf372
- Added keepIds flag to PDBFile.writeFile() · 6dc44c0e
  peastman authored Mar 03, 2015
  
  6dc44c0e
03 Mar, 2015 2 commits
- Merge pull request #842 from peastman/residue · 410674c0
  peastman authored Mar 03, 2015
```
Fixed exception in addExtraParticles()
```
  410674c0
- Fixed exception in addExtraParticles() · 36cdbc8d
  peastman authored Mar 03, 2015
  
  36cdbc8d
27 Feb, 2015 6 commits
- Merge pull request #839 from peastman/decode · 8d276c26
  peastman authored Feb 27, 2015
```
PdbStructure handles byte streams correctly in Python 3
```
  8d276c26
- Added test for binary PDB streams · 9fee45f9
  peastman authored Feb 27, 2015
  
  9fee45f9
- PdbStructure handles byte streams correctly in Python 3 · 8bcc9b3d
  peastman authored Feb 27, 2015
  
  8bcc9b3d
- Merge pull request #837 from peastman/rpmd · decb586c
  peastman authored Feb 27, 2015
```
Created a barostat for use with RPMD
```
  decb586c
- Merge pull request #836 from peastman/version · 083aeb3d
  peastman authored Feb 27, 2015
```
Updated version number to 6.3
```
  083aeb3d
- Updated version number to 6.3 · 4662beda
  peastman authored Feb 27, 2015
  
  4662beda
25 Feb, 2015 4 commits
- Merge pull request #834 from peastman/pvec · f816d961
  peastman authored Feb 25, 2015
```
Further improvements to PNaCl vectors
```
  f816d961
- Further improvements to PNaCl vectors · 49cc84c4
  peastman authored Feb 25, 2015
  
  49cc84c4
- Merge pull request #831 from peastman/pvec · 57045028
  peastman authored Feb 24, 2015
```
Optimizations to PNaCl vectors
```
  57045028
- Optimizations to PNaCl vectors · d51ad3c3
  peastman authored Feb 24, 2015
  
  d51ad3c3
24 Feb, 2015 5 commits
- Merge pull request #830 from peastman/pnacl · 8f39837a
  peastman authored Feb 24, 2015
```
Fixed problems running in PNaCl
```
  8f39837a
- Fixed problems running in PNaCl · aa7bd1cf
  peastman authored Feb 24, 2015
  
  aa7bd1cf
- Merge pull request #829 from peastman/state · e670188b
  peastman authored Feb 23, 2015
```
Avoid throwing exceptions internally when serializing States
```
  e670188b
- Avoid throwing exceptions internally when serializing States · e18eb785
  peastman authored Feb 23, 2015
  
  e18eb785
- Merge pull request #828 from peastman/cleanup · f11bafd9
  peastman authored Feb 23, 2015
```
Cleanup to AMOEBA code
```
  f11bafd9
23 Feb, 2015 2 commits
- Cleaned up formatting in AMOEBA code · d95b90b9
  peastman authored Feb 23, 2015
  
  d95b90b9
- Deleted more debugging code · a568bb12
  peastman authored Feb 23, 2015
  
  a568bb12
21 Feb, 2015 6 commits
- Merge pull request #827 from peastman/reference · 162d69a2
  peastman authored Feb 20, 2015
```
Lots of cleanup to reference platform
```
  162d69a2
- Deleted lots of debugging code · c44c956d
  peastman authored Feb 20, 2015
  
  c44c956d
- Cleaned up formatting of AMOEBA reference code · 41cd79a5
  peastman authored Feb 20, 2015
  
  41cd79a5
- Moved AMOEBA reference code into OpenMM namespace · 25a308e6
  peastman authored Feb 20, 2015
  
  25a308e6
- Deleted obsolete debugging code · f72062af
  peastman authored Feb 20, 2015
  
  f72062af
- Combined subfolders in reference source, and renamed a couple of badly named classes · 3d69185a
  peastman authored Feb 20, 2015
  
  3d69185a
20 Feb, 2015 3 commits
- Elimininated obsolete SimTKOpenMMCommon files · 0671c7b0
  peastman authored Feb 20, 2015
  
  0671c7b0
- Cleaned up lots of formatting to be more consistent with the rest of OpenMM · 7fb10336
  peastman authored Feb 20, 2015
  
  7fb10336
- Deleted obsolete logging class · 1d3ffd7b
  peastman authored Feb 20, 2015
  
  1d3ffd7b