- 19 Feb, 2009 8 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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Mark Friedrichs authored
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Mark Friedrichs authored
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- 18 Feb, 2009 4 commits
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Mark Friedrichs authored
Made setting of RNG seed consistent w/ logic used for Cuda
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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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- 05 Feb, 2009 3 commits
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Mark Friedrichs authored
Minor edits; force duplicationFactor to 1 if no. particles < 65; for system w/ 32 atoms, NAN were appearing in nonbonded force term; plan to fix later
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Mark Friedrichs authored
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Mark Friedrichs authored
Added more ik,jl gathers for bonded forces Redid shared #define setting in CMakeList.txt
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- 03 Feb, 2009 1 commit
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Christopher Bruns authored
because virgin computers without CUDA generate loads of errors trying to find CUDA on cmake run.
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- 28 Jan, 2009 1 commit
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Peter Eastman authored
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- 27 Jan, 2009 1 commit
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Peter Eastman authored
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- 26 Jan, 2009 2 commits
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Mark Friedrichs authored
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Mark Friedrichs authored
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- 23 Jan, 2009 2 commits
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Mark Friedrichs authored
Modified/added CMake commands to allow input file name argument to be passed to TstBrookGBSAOBCForce Renamed TestBrookGBSAOBCForce.cpp to TstBrookGBSAOBCForce.cpp as part of adding command-line arg Modified TstBrookGBSAOBCForce.cpp to accept arg brook/CMakeLists.txt modified to allow developer to set flag for static libs/exes
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Mark Friedrichs authored
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- 22 Jan, 2009 6 commits
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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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Mark Friedrichs authored
Fixed setting of runtime in BrookPlatform() constructor (constructor w/o args): if 'brt_runtime' env variable not set, then internal 'runtime' variable was NULL -- this led to a fault when _setBrookRuntime() was called
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Christopher Bruns authored
Commented out static platform variable, which may have caused initialization problems Some of the Brook tests now succeed on my computer for the first time.
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- 20 Jan, 2009 1 commit
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Peter Eastman authored
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- 17 Jan, 2009 2 commits
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Mark Friedrichs authored
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Mark Friedrichs authored
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- 16 Jan, 2009 4 commits
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Christopher Bruns authored
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Christopher Bruns authored
stanza, so OpenMMBrook builds in both release and debug mode on my Windows box
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Christopher Bruns authored
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Christopher Bruns authored
Modified FindBrook.cmake to be a bit more specific about finding BROOK_INCLUDE_DIR, so it finds on my computer
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- 15 Jan, 2009 4 commits
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Mark Friedrichs authored
Added 'OPENMM_EXPORT' to class declaration to deal w/ linking issue associated w/ virtual methods in class Modified brook/brook-cmake/FindBrook.cmake to only look in $BROOKROOT directory for Brook files
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Mark Friedrichs authored
Removed build of static versions of tests
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Mark Friedrichs authored
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Mark Friedrichs authored
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- 14 Jan, 2009 1 commit
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Mark Friedrichs authored
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