Commits · 5e733a3372423b084e3aa09fde3763aad607d757 · tsoc / openmm

"platforms/hip/tests/TestHipCustomNonbondedForce.cpp" did not exist on "b2af59a8534d8c0c77d469ba09576985785eed64"

13 Aug, 2015 1 commit
- Close file before deleting in TestAmberPrmtopFile.py · 5e733a33
  Robert McGibbon authored Aug 12, 2015
  
  5e733a33
12 Aug, 2015 8 commits
- Merge pull request #1087 from peastman/warn · 7ee7de16
  peastman authored Aug 12, 2015
```
Show fewer warnings on Visual Studio
```
  7ee7de16
- Merge pull request #1086 from rmcgibbo/py3 · a3476d23
  peastman authored Aug 12, 2015
```
Fix two tests for python3
```
  a3476d23
- Show fewer warnings on Visual Studio · 7509c2bf
  Peter Eastman authored Aug 12, 2015
  
  7509c2bf
- Update TestPdbFile.py · 920d3d4b
  Robert T. McGibbon authored Aug 12, 2015
  
  920d3d4b
- Fix two tests for python3 · 408cfe6c
  Robert McGibbon authored Aug 12, 2015
  
  408cfe6c
- Merge pull request #1085 from rmcgibbo/appveyor2 · c2891265
  peastman authored Aug 12, 2015
```
Add appveyor.yml
```
  c2891265
- Rerun failing tests · e8b6c910
  Robert McGibbon authored Aug 12, 2015
  
  e8b6c910
- Add appveyor.yml · 8c69c0dc
  Robert McGibbon authored Aug 12, 2015
  
  8c69c0dc
11 Aug, 2015 3 commits
- Merge pull request #1082 from peastman/threads · ff0cdceb
  peastman authored Aug 11, 2015
```
Attempt at fixing a race condition in CPU PME
```
  ff0cdceb
- CPU PME plugin uses ThreadPool instead of implementing its own parallelization · 63e2123d
  peastman authored Aug 11, 2015
  
  63e2123d
- Attempt at fixing a race condition in CPU PME · 28fe68e0
  peastman authored Aug 10, 2015
  
  28fe68e0
10 Aug, 2015 4 commits
- Merge pull request #1081 from swails/pdbx · 4c00b312
  peastman authored Aug 10, 2015
```
Add PDBxReporter class
```
  4c00b312
- Get rid of superfluous method. · c885f3d7
  Jason Swails authored Aug 10, 2015
  
  c885f3d7
- Fix unit cell writing in PDBx/mmCIF files. · a6eccd99
  Jason Swails authored Aug 10, 2015
  
  a6eccd99
- Use computeLengthsAndAngles. Also switch to using print_function in pdbfile.py · 4db8f48c
  Jason Swails authored Aug 10, 2015
```
(part of the long-term plan of supporting Python 2 and 3 in the same code base
without 2to3)
```
  4db8f48c
08 Aug, 2015 3 commits
- Add test cases for PDBxReporter · 16fdf4a8
  Jason Swails authored Aug 08, 2015
  
  16fdf4a8
- Fix up PDBxFile writing and the reporter. It now works in my tests. · 8c91abb6
  Jason Swails authored Aug 08, 2015
  
  8c91abb6
- Add ability to write PDBx/mmCIF files and add a PDBxReporter class to do so. · 22fc6e88
  Jason Swails authored Aug 07, 2015
  
  22fc6e88
07 Aug, 2015 2 commits
- Merge pull request #1080 from peastman/exec · 300566f3
  peastman authored Aug 07, 2015
```
Fixed errors executing force field scripts on Python 3
```
  300566f3
- Fixed errors executing force field scripts on Python 3 · a5415e25
  peastman authored Aug 07, 2015
  
  a5415e25
06 Aug, 2015 2 commits
- Merge pull request #1077 from peastman/pdbx · 0f611850
  peastman authored Aug 06, 2015
```
Minor improvements to loading PDBx files
```
  0f611850
- Minor improvements to loading PDBx files · e4022a59
  peastman authored Aug 06, 2015
  
  e4022a59
05 Aug, 2015 6 commits
- Merge pull request #1031 from rmcgibbo/units2 · a1a61127
  peastman authored Aug 05, 2015
```
MAINT: Nicer swig wrappers
```
  a1a61127
- Merge pull request #1075 from rmcgibbo/travis-unused · 6c82c11b
  peastman authored Aug 05, 2015
```
Remove unused CI stuff
```
  6c82c11b
- Support modern swig, strip units on the C++ side of the swig wrappers. · b0baa00d
  Robert McGibbon authored Jul 09, 2015
  
  b0baa00d
- Remove unused CI stuff · 6c5e9bdf
  Robert McGibbon authored Aug 04, 2015
  
  6c5e9bdf
- Merge pull request #1071 from rmcgibbo/travis · 04db8c60
  peastman authored Aug 04, 2015
```
Use travis container infastructure
```
  04db8c60
- Merge pull request #1073 from peastman/memleak · 61527786
  peastman authored Aug 04, 2015
```
Fixed a memory leak in OpenCL platform on Nvidia GPUs
```
  61527786
04 Aug, 2015 4 commits
- Fixed a memory leak in OpenCL platform on Nvidia GPUs · 7177e2ad
  peastman authored Aug 04, 2015
  
  7177e2ad
- Update .travis.yml · cdde495a
  Robert T. McGibbon authored Aug 04, 2015
  
  cdde495a
- Merge pull request #1070 from peastman/repr · 7dc0a154
  peastman authored Aug 04, 2015
```
Added a more useful string representation of atoms, residues, and chains
```
  7dc0a154
- Use travis container infastructure · 53d64f0c
  Robert McGibbon authored Aug 03, 2015
  
  53d64f0c
03 Aug, 2015 5 commits
- Added a more useful string representation of atoms, residues, and chains · 9d97adde
  peastman authored Aug 03, 2015
  
  9d97adde
- Merge pull request #1069 from rmcgibbo/install-sfmt-headers · 14c5e241
  peastman authored Aug 03, 2015
```
Install SFMT headers
```
  14c5e241
- Install SFMT headers · 5fb992c5
  Robert McGibbon authored Aug 03, 2015
  
  5fb992c5
- Merge pull request #1068 from peastman/segfault · 5cc23632
  peastman authored Aug 03, 2015
```
Fixed segfault in AmoebaMultipoleForce
```
  5cc23632
- Fixed segfault in AmoebaMultipoleForce · d33b232e
  peastman authored Aug 03, 2015
  
  d33b232e
30 Jul, 2015 2 commits
- Merge pull request #1063 from peastman/hydrogens · ce19f85c
  peastman authored Jul 30, 2015
```
When calling addHydrogens() without a ForceField, improve positioning of hydrogens
```
  ce19f85c
- When calling addHydrogens() without a ForceField, improve positioning of hydrogens · ebe757dd
  peastman authored Jul 30, 2015
  
  ebe757dd