"vscode:/vscode.git/clone" did not exist on "09d22418f0caf1d0062fbc87d667437625f135c4"
  • 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
CustomNonbondedForce.cpp 11.6 KB