- 25 Nov, 2009 1 commit
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Christopher Bruns authored
Incorporate Normal Mode Langevin openmm code from Chris Sweet as a plugin. (compiles on windows, but no actual testing done)
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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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- 25 Jun, 2009 1 commit
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Michael Sherman authored
- MingW, where "WIN32" is set by CMake but the compiler is not Microsoft's (should use _MSC_VER) in that case, and - in gcc 4.4 which is fussy about some issues that earlier versions were silent about, such as passing a string constant to a "char*" rather than a "const char*". I also fixed a syntax error in CMakeLists that showed up in the OpenMM workshop for some unknown reason. Brook is not currently building correctly; I think it has not yet been fully converted to the getTime() interface needed for variable step integrators.
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- 21 Apr, 2009 1 commit
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Peter Eastman authored
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- 20 Feb, 2009 1 commit
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Peter Eastman authored
Implemented setting random seed for reference platform, as well as adding it as an option to BrownianIntegrator and AndersenThermostat.
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- 24 Sep, 2008 3 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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- 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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- 14 May, 2008 1 commit
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Mark Friedrichs authored
Added 'return platform' to registerReferencePlatform() -- VisualStudio complained about no return value Added #include "../sfmt/SFMT.h" to SimTKOpenMMUtilities.h to get 'uint32_t' declaration
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- 02 May, 2008 1 commit
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Peter Eastman authored
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- 25 Apr, 2008 1 commit
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Peter Eastman authored
Continuing to implement ReferencePlatform (implemented kinetic energy calculation and LangevinIntegrator)
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- 23 Apr, 2008 1 commit
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Peter Eastman authored
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- 22 Apr, 2008 1 commit
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Peter Eastman authored
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- 19 Apr, 2008 1 commit
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Peter Eastman authored
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- 17 Apr, 2008 1 commit
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Peter Eastman authored
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