- 07 Jul, 2009 2 commits
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Peter Eastman authored
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Rossen Apostolov authored
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- 02 Jul, 2009 1 commit
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Peter Eastman authored
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- 01 Jul, 2009 1 commit
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Michael Sherman authored
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- 29 Jun, 2009 1 commit
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Michael Sherman authored
Examples: now builds CWrappers as a library; modified C builds to use it; added visual studio project to build Argon example in Fortran. System.h: addForce() wasn't returning the index.
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- 26 Jun, 2009 1 commit
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Peter Eastman authored
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- 25 Jun, 2009 2 commits
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Peter Eastman authored
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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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- 24 Jun, 2009 1 commit
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Peter Eastman authored
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- 23 Jun, 2009 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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- 18 Jun, 2009 1 commit
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Peter Eastman authored
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- 11 Jun, 2009 1 commit
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Peter Eastman authored
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- 10 Jun, 2009 1 commit
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Christopher Bruns authored
Added doxygenable comment that Langevin friction coefficient is in units of collisions per picosecond (as opposed to picoseconds), which Sherm and I deduced by reading reference implementation and testing extreme values.
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- 01 May, 2009 1 commit
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Peter Eastman authored
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- 27 Apr, 2009 1 commit
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Michael Sherman authored
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- 23 Apr, 2009 1 commit
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Peter Eastman authored
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- 22 Apr, 2009 2 commits
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Michael Sherman authored
(2) I disabled the block of code in the main CMakeLists file that tries to second guess VC++'s choices for runtime libraries. This was required for me to get CUDA to work in VC 2005 where the compiler always chooses multithreaded libraries. I verified that Brook will still build this way, but I haven't tested it.
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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 2 commits
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Peter Eastman authored
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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Peter Eastman authored
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- 11 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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- 17 Mar, 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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- 19 Feb, 2009 1 commit
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Peter Eastman authored
Checked in explicit solvent implementation for Cuda platform (cutoffs, periodic boundary conditions, SETTLE)
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- 18 Feb, 2009 2 commits
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Mark Friedrichs authored
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Mark Friedrichs authored
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- 20 Jan, 2009 1 commit
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Peter Eastman authored
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- 19 Dec, 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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- 18 Nov, 2008 1 commit
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Peter Eastman authored
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- 12 Nov, 2008 1 commit
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Peter Eastman authored
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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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