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  1. 26 Oct, 2021 1 commit
    • Peter Eastman's avatar
      Added AMOEBA 2018 force field (#3299) · 06767dde
      Peter Eastman authored
      * Adding support for new AMOEBA features
      
      * Support modern method of specifying in-plane angles
      
      * Implemented stretch-torsions
      
      * Implemented angle-torsions
      
      * More AMOEBA fixes
      
      * Bug fix
      
      * Converted AMOEBA 2018 force field
      
      * Added documentation for AMOEBA 2018
      
      * Added a missing file for tests
      06767dde
  2. 08 Sep, 2021 1 commit
    • Peter Eastman's avatar
      Implicit solvent for modern force fields (#3214) · 654c6c9c
      Peter Eastman authored
      * Created OBC2 that works with current force fields
      
      * Created HCT, OBC1, GBn, and GBn2 that works with current force fields
      
      * Added documentation for GB models
      
      * Updates to documentation and tests based on comments
      
      * Added formula for screening parameter
      654c6c9c
  3. 16 Jul, 2021 1 commit
    • Josh A. Mitchell's avatar
      Reorganise documentation (#3165) · f5166695
      Josh A. Mitchell authored
      * Break user guide into parts
      
      * Break up file I missed
      
      * Add basic .gitignore to suit out-of-tree builds in build, build1, build2 ... build9
      
      * Small changes to autonumber.py for doc compilation
      
      This is a small change designed not to fix the incorrect logic of
      autonumber.py, but just to get the docs compiling. While assigning
      numbers, the code now just ignores the autonumber_by_chapter
      setting for a particular object if it can't find the appropriate
      section in section_numbers. This is a temporary fix!
      
      * Include part and chapter in autonumbered objects
      
      * Fix autonumber.py to correctly reference autonumber roles in file-level sections
      
      * Unify and simplify styling across documentation
      
      * Break dev docs down into individual chapter-files
      
      * Correct absolute links to relative
      
      * Disable browser suggestions for lunrsearch box in API docs
      
      * Remove part name from chapter 2.1
      
      * Rename ambiguous 'Home' link to OpenMM.org
      
      * Typo
      
      * Minor fixes and reversions
      
      Reverts some changes I had made and later thought better of,
      and fixes some recurring typos across the documentation.
      
      * Number developers guide chapters
      
      * Fix responsiveness
      
      * Remove header.rst and center captions
      
      * Add a level of depth to main TOC and styling to accomodate
      
      * Add third level to Part-level TOCs
      
      * Use :numref: instead of :ref: to number links to sections
      
      * Continuously number chapters in user guide
      
      * navbar links to other docs relative, not absolute
      
      * Improve navbar spacing with new template
      
      * Fix sidebar while allowing it to scroll
      
      * Hard -> Soft links for navigation.html template
      
      * Add navigation.html template to cmakelists
      
      * Add another level of .. to relative links
      
      * Fix flex on C++ and remove layer of ..
      f5166695