1. 01 Aug, 2019 1 commit
  2. 30 Jul, 2019 1 commit
  3. 29 Jul, 2019 1 commit
  4. 12 Jul, 2019 2 commits
  5. 16 Jun, 2019 1 commit
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  7. 14 Jun, 2019 1 commit
  8. 19 Feb, 2019 3 commits
  9. 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
  10. 10 Dec, 2018 1 commit
  11. 01 Aug, 2018 1 commit
  12. 15 Jun, 2018 1 commit
  13. 22 May, 2018 1 commit
  14. 06 Apr, 2018 1 commit
  15. 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
  16. 04 Mar, 2018 1 commit
  17. 21 Feb, 2018 1 commit
  18. 04 Dec, 2017 1 commit
  19. 29 Nov, 2017 1 commit
  20. 07 Oct, 2017 1 commit
  21. 26 Sep, 2017 2 commits
  22. 25 Sep, 2017 1 commit
  23. 11 Sep, 2017 1 commit
  24. 08 Sep, 2017 1 commit
  25. 25 May, 2017 1 commit
  26. 24 May, 2017 2 commits
  27. 19 May, 2017 1 commit
  28. 05 May, 2017 1 commit
  29. 25 Apr, 2017 1 commit
  30. 20 Apr, 2017 3 commits
  31. 14 Apr, 2017 1 commit
  32. 10 Apr, 2017 1 commit
  33. 07 Apr, 2017 1 commit
    • Stephen Constable's avatar
      Unit test · 67866992
      Stephen Constable authored
      I’m not sure how to trigger the unit testing suite, but this code
      should test the changes I’ve made.
      67866992