1. 19 Feb, 2019 3 commits
  2. 07 Apr, 2017 1 commit
  3. 05 Apr, 2017 2 commits
    • Stephen Constable's avatar
      Fixed field support in group file · d4b1ced1
      Stephen Constable authored
      The old _is_gro_coord function inexplicably used split() even though
      gro files fixed field (nb: the parsing was still done correctly).  Now
      it uses fixed field substrings.
      d4b1ced1
    • Stephen Constable's avatar
      Code cleanup · b0cf367c
      Stephen Constable authored
      I have made things more technically correct: GROMACS processes pairs
      and exclusions separately.  Also added proper support for fudgeLJ term.
      Also added improved gro file parsing (technically it’s a fixed-field
      format but this works too).
      b0cf367c
  4. 04 Aug, 2016 1 commit
  5. 04 Nov, 2015 1 commit
  6. 03 Nov, 2015 1 commit
    • Robert McGibbon's avatar
      Improve docstrings · 98d053d4
      Robert McGibbon authored
      Swigged python docstrings now include documented return values and type
      information or their arguments. They are generated in numpydoc format.
      Furthermore, all of the Python app layer docstrings have been changed
      to numpydoc format. The filterPythonFiles.py script which helps to
      generate the Doxygen Python API docs has been updated to reflect these
      changes.
      98d053d4
  7. 27 Aug, 2015 1 commit
  8. 09 Feb, 2015 1 commit
  9. 07 Feb, 2015 1 commit
  10. 15 Aug, 2013 1 commit
  11. 12 Jul, 2013 1 commit
  12. 17 Apr, 2013 1 commit
  13. 16 Apr, 2013 1 commit
  14. 10 Jan, 2013 1 commit
  15. 20 Sep, 2012 1 commit
  16. 29 May, 2012 1 commit
  17. 20 May, 2012 1 commit