1. 30 Dec, 2014 3 commits
  2. 26 Dec, 2014 1 commit
    • Jason Swails's avatar
      Squash the following warning: · 67ad6557
      Jason Swails authored
      /usr/local/openmm/include/openmm/CustomHbondForce.h:477:25: warning: field 'p3' will be initialized after field 'parameters' [-Wreorder]
              p1(p1), p2(p2), p3(p3), parameters(parameters) {
                                  ^
      I believe that the initializer is supposed to assign variables in the same
      order they're declared in the class definition (not the same order they're
      defined in the constructor argument list.
      67ad6557
  3. 03 Dec, 2014 1 commit
  4. 11 Nov, 2014 1 commit
  5. 13 Oct, 2014 1 commit
  6. 03 Oct, 2014 2 commits
  7. 23 Sep, 2014 3 commits
  8. 05 Sep, 2014 1 commit
  9. 03 Sep, 2014 1 commit
  10. 29 Aug, 2014 1 commit
  11. 20 Aug, 2014 1 commit
  12. 15 Aug, 2014 1 commit
  13. 14 Aug, 2014 2 commits
  14. 11 Aug, 2014 1 commit
  15. 09 Aug, 2014 1 commit
  16. 07 Aug, 2014 2 commits
  17. 06 Aug, 2014 1 commit
  18. 05 Aug, 2014 1 commit
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  20. 01 Aug, 2014 1 commit
  21. 28 Jul, 2014 1 commit
  22. 25 Jul, 2014 1 commit
  23. 24 Jul, 2014 2 commits
  24. 23 Jul, 2014 1 commit
  25. 17 Jul, 2014 3 commits
  26. 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
  27. 14 Jul, 2014 1 commit
  28. 12 Jun, 2014 1 commit
  29. 10 Jun, 2014 1 commit