1. 08 Jul, 2015 3 commits
    • 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
    • peastman's avatar
      Merge pull request #1019 from rmcgibbo/TestVectorize8 · 1ebd88ff
      peastman authored
      ENH: TestVectorize8
      1ebd88ff
    • peastman's avatar
      Merge pull request #1022 from rmcgibbo/clang · 554512e8
      peastman authored
      Mark clang 3.6 as unsupported for building CPU platform in cmake
      554512e8
  2. 07 Jul, 2015 5 commits
  3. 06 Jul, 2015 7 commits
  4. 05 Jul, 2015 1 commit
  5. 02 Jul, 2015 4 commits
  6. 01 Jul, 2015 6 commits
  7. 30 Jun, 2015 4 commits
  8. 29 Jun, 2015 4 commits
  9. 26 Jun, 2015 6 commits