Commits · cf8a03e833ae2dc49853b8935ecb09a4872bce71 · tsoc / openmm

15 Jan, 2014 1 commit
- Test cases detect if CPU is not supported and exit rather than crashing · 9966f134
  Peter Eastman authored Jan 14, 2014
  
  9966f134
19 Dec, 2013 1 commit
- Parallelized LangevinIntegrator for CPU platform · ddf1216d
  peastman authored Dec 19, 2013
  
  ddf1216d
01 Oct, 2013 1 commit
- Ignore constraints that connect two massless particles (feature request 1915) · 803faa81
  peastman authored Oct 01, 2013
  
  803faa81
08 Jul, 2013 1 commit

Platform specific header files get installed. This allows plugins to be built... · 300758a5

peastman authored Jul 08, 2013

Platform specific header files get installed.  This allows plugins to be built with just an OpenMM installation, not a full source tree.

300758a5

31 Jan, 2012 1 commit
- Added index bounds checking to lots of methods · a566a074
  Peter Eastman authored Jan 31, 2012
  
  a566a074
10 May, 2010 1 commit
- Moved SFMT into libraries folder, and restructured it to allow multiple... · b06fc4a7
  Peter Eastman authored May 10, 2010
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Moved SFMT into libraries folder, and restructured it to allow multiple independent random number generators
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  b06fc4a7
11 Feb, 2010 1 commit
- Test cases which may occasionally fail say so in the error message. · 16ea7c75
  Peter Eastman authored Feb 11, 2010
  
  16ea7c75
28 Oct, 2009 1 commit
- Increased tolerance on test cases that failed intermittently · 986d88af
  Peter Eastman authored Oct 28, 2009
  
  986d88af
30 Sep, 2009 1 commit
- Bug fixes and simplifications to integration · 4c489434
  Peter Eastman authored Sep 30, 2009
  
  4c489434
14 Jul, 2009 1 commit
- Renamed OpenMMContext to Context · a4020466
  Peter Eastman authored Jul 14, 2009
  
  a4020466
21 Apr, 2009 1 commit
- Moved header files into an openmm subdirectory · 644cc275
  Peter Eastman authored Apr 21, 2009
  
  644cc275
17 Apr, 2009 2 commits
- Modified the API for lots of classes so that the number of... · 64493da6
  Peter Eastman authored Apr 17, 2009
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Modified the API for lots of classes so that the number of particles/bonds/etc. need not be specified in the constructor.
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  64493da6
- Redesigned the API for specifying exclusions and 1-4 interactions. · 29e3fa57
  Peter Eastman authored Apr 17, 2009
  
  29e3fa57
20 Feb, 2009 1 commit

Implemented setting random seed for reference platform, as well as adding it... · eb0bba22

Peter Eastman authored Feb 20, 2009

Implemented setting random seed for reference platform, as well as adding it as an option to BrownianIntegrator and AndersenThermostat.

eb0bba22

18 Nov, 2008 1 commit
- Fixed a test case that was failing, and enhanced several others · 806232c3
  Peter Eastman authored Nov 18, 2008
  
  806232c3
22 Oct, 2008 2 commits
- Renamed "atoms" to "particles" · 62c4fd53
  Peter Eastman authored Oct 22, 2008
  
  62c4fd53
- Split StandardMMForceField into separate classes for each force term. · ad75a390
  Peter Eastman authored Oct 22, 2008
  
  ad75a390
16 Oct, 2008 1 commit

Changed how kernels get initialized. StandardMMForceField now has you set the... · a138663d

Peter Eastman authored Oct 16, 2008

Changed how kernels get initialized.  StandardMMForceField now has you set the 1-4 interactions explicitly.  CMMotionRemover allows the removal frequency to be set.

a138663d

29 Apr, 2008 3 commits
- Created reference implementation of VerletIntegrator · f14182c5
  Peter Eastman authored Apr 29, 2008
  
  f14182c5
- Created reference implementation of BrownianIntegrator · 5c4be2f0
  Peter Eastman authored Apr 29, 2008
  
  5c4be2f0
- Continuing to implement ReferencePlatform (implemented GBSA kernels, added... · 2cfc6821
  Peter Eastman authored Apr 29, 2008
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Continuing to implement ReferencePlatform (implemented GBSA kernels, added test case for SHAKE and fixed some bugs in it)
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  2cfc6821
25 Apr, 2008 2 commits
- Added SFMT as a random number generator for the reference platform. · 0aad1354
  Peter Eastman authored Apr 25, 2008
  
  0aad1354
- Continuing to implement ReferencePlatform (implemented kinetic energy... · 85da5e0f
  Peter Eastman authored Apr 25, 2008
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Continuing to implement ReferencePlatform (implemented kinetic energy calculation and LangevinIntegrator)
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  85da5e0f