- 25 Nov, 2009 1 commit
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Peter Eastman authored
Added a version of Platform::getPlatform() that looks up platforms by name. Added a Context constructor that allows platform-specific properties to be specified.
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- 24 Nov, 2009 1 commit
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Peter Eastman authored
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- 11 Nov, 2009 1 commit
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Peter Eastman authored
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- 10 Nov, 2009 1 commit
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Peter Eastman authored
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- 03 Nov, 2009 1 commit
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Mark Friedrichs authored
Free energy plugin added Plugin will not run w/ Obc or GB/VI forces unless line 2004 of gpu.cpp (gpu->sim.totalNonbondOutputBuffers = 2*gpu->sim.nonbondOutputBuffers;) is commented in -- working on removing this constraint Also unit tests for GB/VI currently fail
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- 22 Sep, 2009 1 commit
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Peter Eastman authored
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- 19 Sep, 2009 1 commit
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Peter Eastman authored
Restructured how force and energy computations are done to make it easier to write plugins for the CUDA platform
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- 18 Aug, 2009 1 commit
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Peter Eastman authored
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- 29 Jul, 2009 1 commit
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Peter Eastman authored
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- 16 Jul, 2009 1 commit
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Peter Eastman authored
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- 14 Jul, 2009 1 commit
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Peter Eastman authored
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- 10 Jul, 2009 4 commits
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Peter Eastman authored
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Peter Eastman authored
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Peter Eastman authored
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Michael Sherman authored
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- 09 Jul, 2009 1 commit
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Peter Eastman authored
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- 08 Jul, 2009 1 commit
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Peter Eastman authored
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- 07 Jul, 2009 1 commit
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Rossen Apostolov authored
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- 23 Jun, 2009 1 commit
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Peter Eastman authored
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- 18 Jun, 2009 1 commit
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Peter Eastman authored
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- 18 May, 2009 1 commit
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Peter Eastman authored
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- 06 May, 2009 1 commit
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Michael Sherman authored
(1) Made Platform::loadPluginLibrary() for Windows leave the end user alone if a failure occurs -- was throwing up an error box. (2) Made Platform::loadPluginsFromDirectory() on Windows find only .dll's.
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- 01 May, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
Added Platform::getDefaultPluginDirectory(). Plugins are now installed into .../openmm/lib/plugins.
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- 24 Apr, 2009 1 commit
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Peter Eastman authored
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- 21 Apr, 2009 1 commit
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Peter Eastman authored
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- 17 Apr, 2009 1 commit
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Peter Eastman authored
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- 09 Apr, 2009 1 commit
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Mark Friedrichs authored
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- 06 Apr, 2009 1 commit
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Rossen Apostolov authored
Implemented the Ewald summation method in the reference platform. Preliminary cuda prototype is included.
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- 21 Nov, 2008 1 commit
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Peter Eastman authored
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- 19 Nov, 2008 1 commit
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Peter Eastman authored
Optimization: introduced a kernel to clear forces at the start of each time step rather than relying on the stream
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- 04 Nov, 2008 1 commit
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Peter Eastman authored
Implemented dynamic loading of platforms from DLLs. Also fixed a lot of compilation errors and warnings under Windows.
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- 29 Oct, 2008 1 commit
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Peter Eastman authored
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- 22 Oct, 2008 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 16 Oct, 2008 1 commit
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Peter Eastman authored
Changed how kernels get initialized. StandardMMForceField now has you set the 1-4 interactions explicitly. CMMotionRemover allows the removal frequency to be set.
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- 11 Oct, 2008 1 commit
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Peter Eastman authored
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- 24 Sep, 2008 1 commit
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Peter Eastman authored
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- 12 Jul, 2008 1 commit
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Peter Eastman authored
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- 23 Jun, 2008 1 commit
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Christopher Bruns authored
1) Added DLL export macros to many classes; enough to get tests to compile 2) Cosmetic changes to reduce warnings in Visual Studio: a) change many "for (int i ="... to "for (size_t i ="... to avoid unsigned mismatch warnings b) included many explicit static_cast<OpenMMReal>() casts to document places where double->float conversion warnings occur
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