1. 07 Aug, 2014 1 commit
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  10. 16 Jul, 2014 2 commits
    • Jason Swails's avatar
      Switch to a deep copy on the tabulated functions in CustomNonbondedForce. This · 4517491d
      Jason Swails authored
      necessitated creating a Copy method to do that on TabulatedFunction classes.
      4517491d
    • Jason Swails's avatar
      Add an explicit (shallow) copy constructor for CustomNonbondedForce. This fixes · d3046049
      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).
      d3046049
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  27. 11 Mar, 2014 1 commit