- 03 Dec, 2014 1 commit
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peastman authored
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- 02 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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- 03 Mar, 2014 3 commits
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peastman authored
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Jason Swails authored
CustomNonbondedForceImpl long-range correction.
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Jason Swails authored
the square of the number of particles in the dominant LJ type overflows integers.
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- 02 Mar, 2014 2 commits
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Jason Swails authored
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Jason Swails authored
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