- 23 Apr, 2009 2 commits
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Peter Eastman authored
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Michael Sherman authored
(2) Changed erfc.cpp to a header file which defines missing erf() and erfc() as static functions when using VC++ but otherwise does nothing. (3) Replaced all nonstandard uses of real() and imag() methods as lvalues; instead work directly with the complex values. (4) Fixed a bug in TestFindExclusions which was caught by VC++'s extensive STL debug mode self-examination. There are still problems in hilbert.c and not all CUDA tests pass.
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- 22 Apr, 2009 2 commits
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Peter Eastman authored
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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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- 21 Apr, 2009 1 commit
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Peter Eastman authored
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- 17 Apr, 2009 4 commits
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Peter Eastman authored
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Peter Eastman authored
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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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- 16 Apr, 2009 1 commit
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Peter Eastman authored
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- 10 Apr, 2009 1 commit
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Peter Eastman authored
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- 09 Apr, 2009 1 commit
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Peter Eastman authored
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- 08 Apr, 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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- 07 Apr, 2009 1 commit
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Rossen Apostolov authored
Real space Ewald (direct summation) is now in kCalculateCDLJForces.h, reciprocal summation is done in a separate kernel
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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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- 02 Apr, 2009 1 commit
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Peter Eastman authored
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- 01 Apr, 2009 1 commit
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Peter Eastman authored
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- 31 Mar, 2009 1 commit
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Peter Eastman authored
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- 24 Mar, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 10 Mar, 2009 1 commit
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Peter Eastman authored
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- 06 Mar, 2009 1 commit
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Peter Eastman authored
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- 28 Feb, 2009 1 commit
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Peter Eastman authored
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- 27 Feb, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 25 Feb, 2009 1 commit
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Peter Eastman authored
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- 20 Feb, 2009 3 commits
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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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Peter Eastman authored
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Peter Eastman authored
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- 19 Feb, 2009 6 commits
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Peter Eastman authored
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Peter Eastman authored
Checked in explicit solvent implementation for Cuda platform (cutoffs, periodic boundary conditions, SETTLE)
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Mark Friedrichs authored
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Mark Friedrichs authored
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Mark Friedrichs authored
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Mark Friedrichs authored
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- 27 Jan, 2009 1 commit
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Peter Eastman authored
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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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