- 10 Jan, 2015 1 commit
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Jason Swails authored
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- 05 Jan, 2015 1 commit
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Jason Swails authored
Context into the platform rather than hacked into getRandomNumberSeed... Someone please check this.
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- 03 Jan, 2015 2 commits
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Jason Swails authored
rather than some pre-set seed generated at construction time. Any call to "setRandomNumberSeed" prevents this behavior (unless the generator is seeded with 0).
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Jason Swails authored
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- 30 Dec, 2014 2 commits
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Jason Swails authored
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Jason Swails authored
the System. The System inspects all of its forces and calls usePeriodicBoundaryConditions -- it reports 'true' if at least one of its Forces returns 'true' for usesPeriodicBoundaryConditions. The default Force implementation is to raise an exception (NotImplementedError). The System implementation will return true if at least one of its Forces returns 'true' for usesPeriodicBoundaryConditions, _regardless_ of whether or not one or more of the forces does not implement the method. If at least one of the forces does not implement usesPeriodicBoundaryConditions and all forces return false, an OpenMMException is thrown.
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- 03 Dec, 2014 1 commit
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peastman authored
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- 11 Nov, 2014 1 commit
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peastman authored
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- 13 Oct, 2014 1 commit
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peastman authored
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- 03 Oct, 2014 1 commit
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peastman authored
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- 23 Sep, 2014 3 commits
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Robert McGibbon authored
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Robert McGibbon authored
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Robert McGibbon authored
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- 05 Sep, 2014 1 commit
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peastman authored
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- 29 Aug, 2014 1 commit
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peastman authored
CustomManyParticleForce offers two different "permutation modes". Implemented it for Reference and CPU platforms.
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- 20 Aug, 2014 1 commit
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peastman authored
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- 14 Aug, 2014 1 commit
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John Chodera (MSKCC) authored
Updated Context::getParameter() and Context::setParameter() error messages to also print name of incorrect parameter to aid debugging.
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- 07 Aug, 2014 1 commit
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peastman authored
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- 06 Aug, 2014 1 commit
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peastman authored
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- 05 Aug, 2014 1 commit
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peastman authored
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- 17 Jul, 2014 1 commit
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Jason Swails authored
- Don't make a Copy method on FunctionInfo - Have the Copy() methods on the TabulatedFunction subclasses return a pointer
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- 16 Jul, 2014 2 commits
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Jason Swails authored
necessitated creating a Copy method to do that on TabulatedFunction classes.
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Jason Swails authored
segfaults when you use the long-range dispersion correction with the CustomNonbondedForce if the force uses TabulatedFunction objects. Basically, it prevents the copy from taking ownership (and deleting) the functions in its destructor. The use cases for CustomNonbondedForce copying currently is to recompute the long-range prefactor if the parameters change (so the CustomNonbondedForceImpl kernels need a copy of the Force object). Doing a full (deep) copy would be a bit slower (although would only need to be paid once for each CustomNonbondedForce object being used).
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- 14 Jul, 2014 1 commit
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peastman authored
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- 12 Jun, 2014 1 commit
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Peter Eastman authored
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- 10 Jun, 2014 2 commits
- 20 May, 2014 3 commits
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Robert McGibbon authored
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Robert McGibbon authored
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Robert McGibbon authored
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- 27 Apr, 2014 1 commit
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Sam Mikes authored
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- 23 Apr, 2014 1 commit
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peastman authored
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- 20 Apr, 2014 1 commit
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Robert McGibbon authored
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- 05 Apr, 2014 1 commit
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Jason Swails authored
from all .cpp and .h files.
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- 03 Apr, 2014 1 commit
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peastman authored
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- 28 Mar, 2014 2 commits
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Robert McGibbon authored
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Robert McGibbon authored
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- 11 Mar, 2014 2 commits
- 04 Mar, 2014 1 commit
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