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  1. 10 Sep, 2015 1 commit
  3. 03 Sep, 2015 2 commits
  5. 27 Aug, 2015 1 commit
  7. 24 Aug, 2015 2 commits
  9. 21 Aug, 2015 2 commits
  11. 20 Aug, 2015 3 commits
  13. 19 Aug, 2015 3 commits
  15. 17 Aug, 2015 1 commit
  17. 14 Aug, 2015 1 commit
  19. 12 Aug, 2015 1 commit
  21. 11 Aug, 2015 2 commits
  23. 22 Jul, 2015 1 commit
  25. 15 Jul, 2015 1 commit
    • Andy Simmonett's avatar
      More spherical harmonics added. · 48cb76ad
      Andy Simmonett authored 
      o Replaced Cartesians in the reciprocal and self PME terms.
o Added non-PME spherical harmonics field generation and force evaluation routines.
o Added spherical harmonic potential evaluation, to allow removal of the Cartesian moments.
      48cb76ad
  27. 12 Jul, 2015 1 commit
  29. 09 Jul, 2015 2 commits
  31. 08 Jul, 2015 2 commits
    • Andy Simmonett's avatar
      Trivial refactoring and cleaning. · 065bc95f
      Andy Simmonett authored
      065bc95f
    • Andy Simmonett's avatar
      Added spherical harmonic multipoles. · 98514cb9
      Andy Simmonett authored 
      o Permanent and induced moment energies, forces and torques are implemented, for PME direct space.
o The code is activated by a preprocessor macro at the top of AmoebaReferenceMultipoleForce.h, and can be completely disabled.
o Currently, the Cartesian momenents are stored alongside the spherical harmonic moments, but these can eventually be removed when the reciprocal and self terms have been adapted to use spherical harmonics (in progress) and the non-PME routines have been coded.
      98514cb9
  33. 07 Jul, 2015 1 commit
  35. 06 Jul, 2015 1 commit
  37. 02 Jul, 2015 1 commit
  39. 01 Jul, 2015 1 commit
  41. 30 Jun, 2015 2 commits
  43. 10 Jun, 2015 1 commit
  45. 26 May, 2015 1 commit
  47. 15 May, 2015 1 commit
  49. 01 May, 2015 1 commit
  51. 19 Mar, 2015 1 commit
  53. 06 Mar, 2015 1 commit
  55. 23 Feb, 2015 2 commits