1. 27 Jan, 2022 1 commit
    • Peter Eastman's avatar
      CustomNonbondedForce supports computed values (#3412) · 33c694d4
      Peter Eastman authored
      * Reference implementation of computed values for CustomNonbondedForce
      
      * CPU implementation of computed values for CustomNonbondedForce
      
      * Common implementation of computed values for CustomNonbondedForce
      
      * Serialization of computed values
      
      * ForceField supports computed values
      33c694d4
  2. 05 Nov, 2021 1 commit
  3. 29 Oct, 2021 1 commit
  4. 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
  5. 09 Sep, 2021 1 commit
  6. 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
  7. 05 Jul, 2021 1 commit
  8. 30 Jun, 2021 1 commit
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  10. 25 Jan, 2021 1 commit
  11. 05 Jan, 2021 1 commit
  12. 15 Jun, 2020 1 commit
  13. 11 Jun, 2020 1 commit
  14. 31 Mar, 2020 1 commit
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  18. 29 Oct, 2019 1 commit
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  20. 08 Aug, 2019 1 commit
  21. 06 Apr, 2018 1 commit
  22. 21 Feb, 2018 1 commit
  23. 07 Oct, 2017 1 commit
  24. 25 May, 2017 1 commit
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  27. 14 Apr, 2017 1 commit
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  30. 26 Jan, 2017 1 commit
  31. 09 Nov, 2016 1 commit
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  35. 11 Mar, 2016 1 commit