1. 06 Aug, 2019 2 commits
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  10. 20 Dec, 2018 1 commit
    • Jason Swails's avatar
      Improve vec3 (#2230) · 4eb893cf
      Jason Swails authored
      * Improve vec3
      
      * Added a ``__neg__`` operator overload so that -Vec3(1, 2, 3) returns
        the same thing as Vec3(-1, -2, -3)
      * Derived Vec3 from namedtuple instead of tuple. This allows you to
        access the 3 elements of the vector by name. i.e., vec.x, vec.y, vec.z
      
      * Make sure we use floating point division all the time.
      4eb893cf
  11. 10 Dec, 2018 1 commit
  12. 01 Aug, 2018 1 commit
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  14. 22 May, 2018 1 commit
  15. 06 Apr, 2018 1 commit
  16. 06 Mar, 2018 1 commit
    • Sunhwan Jo's avatar
      add comment/modify test · 0db10f6c
      Sunhwan Jo authored
      - Test system is translated to the origin
      - Energy is computed again after updating Gromacs input to reflect no-cutoff option (rcoulomb = rlist = rvdw = 0.0)
      0db10f6c
  17. 04 Mar, 2018 1 commit
  18. 21 Feb, 2018 1 commit
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  32. 14 Apr, 2017 1 commit