Commits · ecbbf44231dbea4f1068273119f5b7e25ec5162b · tsoc / openmm

16 Jun, 2012 1 commit

Continuing to implement new CUDA platform: constraints, LangevinIntegrator,... · ecbbf442

Peter Eastman authored Jun 16, 2012

Continuing to implement new CUDA platform: constraints, LangevinIntegrator, BrownianIntegrator, VariableLangevinIntegrator, VariableVerletIntegrator

ecbbf442

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
10 Feb, 2010 1 commit
- BrownianIntegrator scales the friction coefficient by the mass · a34610da
  Peter Eastman authored Feb 10, 2010
  
  a34610da
14 Jul, 2009 1 commit
- Renamed OpenMMContext to Context · a4020466
  Peter Eastman authored Jul 14, 2009
  
  a4020466
06 May, 2009 1 commit
- Fixed a bug in random number generation for the CUDA platform. Updated test cases. · 852bfaea
  Peter Eastman authored May 06, 2009
  
  852bfaea
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
16 Apr, 2009 1 commit
- Optimized LINCS by merging kernels and implementing a syncAllThreads() function. · afd06645
  Peter Eastman authored Apr 16, 2009
  
  afd06645
08 Apr, 2009 1 commit
- Continuing implementation of LINCS for Cuda platform · 968cb132
  Peter Eastman authored Apr 08, 2009
  
  968cb132
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
04 Nov, 2008 1 commit
- Implemented dynamic loading of platforms from DLLs. Also fixed a lot of... · a416009a
  Peter Eastman authored Nov 04, 2008
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Implemented dynamic loading of platforms from DLLs.  Also fixed a lot of compilation errors and warnings under Windows.
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  a416009a
29 Oct, 2008 1 commit
- Created Cuda implementation of AndersenThermostat. Tweaked test cases for BrownianIntegrator. · 1b2ebaf0
  Peter Eastman authored Oct 29, 2008
  
  1b2ebaf0
27 Oct, 2008 1 commit
- Created Cuda implementation of BrownianIntegrator · 39557436
  Peter Eastman authored Oct 27, 2008
  
  39557436
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 2 commits
- 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