Commits · d37b0fcedbeee4946d49cc1f1ab90acd59141be8 · tsoc / openmm

12 Mar, 2014 1 commit

Robert McGibbon authored Mar 11, 2014

Cant get python build with fsanitize=address

Rerun failing tests

Remove the runtime error

whoops typo

didn't mean to commit that...

d37b0fce

11 Mar, 2014 3 commits
- Random changes to travis-yml · 9109b435
  Robert McGibbon authored Mar 11, 2014
  
  9109b435
- Merge pull request #362 from peastman/threads · cfc01d01
  peastman authored Mar 11, 2014
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Created a property for setting the number of CPU cores to use
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  cfc01d01
- Created a property for setting the number of CPU cores to use · 424bfe9c
  peastman authored Mar 11, 2014
  
  424bfe9c
06 Mar, 2014 4 commits
- Merge pull request #359 from peastman/master · 42dfb1d7
  peastman authored Mar 06, 2014
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Fixed some overly stringent tests
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  42dfb1d7
- Fixed some overly stringent tests · 55237c86
  peastman authored Mar 06, 2014
  
  55237c86
- Merge pull request #357 from peastman/master · 74ed6b1f
  peastman authored Mar 05, 2014
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Removed unnecessary synchronization that hurt performance on Nvidia
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  74ed6b1f
- Removed unnecessary synchronization that hurt performance on Nvidia · 73643858
  Peter Eastman authored Mar 05, 2014
  
  73643858
05 Mar, 2014 2 commits
- Merge pull request #356 from peastman/master · 2e668d83
  peastman authored Mar 05, 2014
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Fixed incorrectly formatted comments that caused problems in the API docs
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  2e668d83
- Fixed incorrectly formatted comments that caused problems in the API docs · a8a78957
  peastman authored Mar 05, 2014
  
  a8a78957
04 Mar, 2014 4 commits
- Merge pull request #355 from mgarraha/master · 8ca60c0f
  peastman authored Mar 04, 2014
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bug fix for Reference CustomCompoundBondForce
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  8ca60c0f
- added testMultipleBonds · c8fa8828
  Mike Garrahan authored Mar 04, 2014
  
  c8fa8828
- fix bug in Reference CustomCompoundBondForce · c52a3d25
  Mike Garrahan authored Mar 04, 2014
  
  c52a3d25
- Revert "Added System::getNumDegreesOfFreedom()" · 52c35f70
  peastman authored Mar 04, 2014
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This reverts commit 542ee547.
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  52c35f70
03 Mar, 2014 5 commits
- Merge pull request #352 from swails/master · 8369f91d
  peastman authored Mar 03, 2014
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Fix long-range vdW correction for large(ish) systems
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  8369f91d
- Added System::getNumDegreesOfFreedom() · 542ee547
  peastman authored Mar 03, 2014
  
  542ee547
- Convert interaction counting to long long int to avoid integer overflows in · c7549a4b
  Jason Swails authored Mar 03, 2014
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CustomNonbondedForceImpl long-range correction.
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  c7549a4b
- More int -> double conversions to avoid overflows on _very_ big systems in which · 7e597980
  Jason Swails authored Mar 03, 2014
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the square of the number of particles in the dominant LJ type overflows
integers.
```
  7e597980
- Remove the .gitignore. · 59a52aa2
  Jason Swails authored Mar 03, 2014
  
  59a52aa2
02 Mar, 2014 3 commits
- One more int -> double · 42fefa91
  Jason Swails authored Mar 02, 2014
  
  42fefa91
- Fix long-range vdW correction for real systems. · b0c5b0c1
  Jason Swails authored Mar 02, 2014
  
  b0c5b0c1
- Ignore VIM swap files and backup files · f4d5ab3d
  Jason Swails authored Mar 02, 2014
  
  f4d5ab3d
01 Mar, 2014 3 commits
- Merge pull request #347 from peastman/master · 4fdf49d5
  peastman authored Feb 28, 2014
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Removed some obsolete test code
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  4fdf49d5
- Removed some obsolete test code · b16bec99
  peastman authored Feb 28, 2014
  
  b16bec99
- Merge pull request #343 from rmcgibbo/test-cpu-settle · b915aca5
  peastman authored Feb 28, 2014
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[WIP] TestCpuSettle segfault on travis
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  b915aca5
28 Feb, 2014 3 commits
- Merge pull request #345 from peastman/master · e6410ce2
  peastman authored Feb 28, 2014
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Converted developer guide to Sphinx
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  e6410ce2
- Fixed some errors in documentation generation · 063937fb
  peastman authored Feb 28, 2014
  
  063937fb
- Converted developer guide to Sphinx · 91bf4fcd
  peastman authored Feb 28, 2014
  
  91bf4fcd
01 Mar, 2014 2 commits
- Merge branch 'master' of https://github.com/peastman/openmm · 43c6a76d
  peastman authored Mar 01, 2014
  
  43c6a76d
- Another attempt at dealing with the fact that some compilers define round() and others don't · dd63128f
  peastman authored Mar 01, 2014
  
  dd63128f
28 Feb, 2014 9 commits
- reset threadpool · b41dc1fc
  Robert McGibbon authored Feb 28, 2014
  
  b41dc1fc
- Fixed compilation errors on Windows · 8381aaa8
  peastman authored Feb 28, 2014
  
  8381aaa8
- Merge pull request #344 from peastman/master · 7823548e
  peastman authored Feb 28, 2014
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Another attempt at dealing with the fact that some compilers define round() and others don't
```
  7823548e
- change travis? · 6a95f707
  Robert McGibbon authored Feb 28, 2014
  
  6a95f707
- reset .travis.yml back · fc21ec77
  Robert McGibbon authored Feb 28, 2014
  
  fc21ec77
- fix bug · 05423d24
  Robert McGibbon authored Feb 28, 2014
  
  05423d24
- symbolize? · 8e9f7934
  Robert McGibbon authored Feb 28, 2014
  
  8e9f7934
- get -g as well · ea9dd0c1
  Robert McGibbon authored Feb 28, 2014
  
  ea9dd0c1
- try to find the segfault · 428fdedd
  Robert McGibbon authored Feb 28, 2014
  
  428fdedd
27 Feb, 2014 1 commit
- Merge pull request #342 from peastman/master · a6a050a7
  peastman authored Feb 27, 2014
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Converted users guide to Sphinx
```
  a6a050a7