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  1. 11 Mar, 2021 1 commit
  2. 08 Mar, 2021 1 commit
  3. 12 Feb, 2021 2 commits
  4. 02 Dec, 2020 1 commit
    • Gigg, Martyn Anthony's avatar
      Add a threshold to reciprocal lattice calculations · a09cea2a
      Gigg, Martyn Anthony authored
      In certain cases Gstar/ra/ra was giving numbers below
      1e-15 which in turn lead to minor differences in the
      acos value across compilers. The computed B matrix would
      have entries such as ~1e-17 that really should be treated
      as effectively 0. The outside of effect of those entries
      seemed most noticable in the Crystal Field pointcharge
      calculations where after apply the B matrix + its inverse
      would give slightly different ligand entries on clang vs gcc.
      Here anything below 1e-15 is now considered 0 and pi/2 is
  5. 27 Nov, 2020 1 commit
  6. 23 Nov, 2020 1 commit
    • Danny Hindson's avatar
      Move calculateAttenuation onto Track class · 1a1bd93e
      Danny Hindson authored
      Move the calculateAttenuation method from MCInteractionVolume onto the
      Track class so it's available for situations where you're not doing a
      Monte Carlo simulation eg non-simulated absorption weighted path length
      New X-ray absorption correction algorithm may also benefit from this
      Also return tracks from MCInteractionVolume::calculateBeforeAfterTrack in
      different way so it's easier to mock the Track class in the MCAbsorptionStrategy
      unit tests
      Also had to use testing::invoke to return the mocked track class because
      SetArgPointee didn't seem to work in a polymorphic way
  7. 11 Nov, 2020 1 commit
  8. 27 Oct, 2020 1 commit
  9. 26 Oct, 2020 1 commit
  10. 23 Oct, 2020 1 commit
    • Danny Hindson's avatar
      Fix problem with PaalmanPingsMonteCarloAbsorptionTest on Windows · 366758b2
      Danny Hindson authored
      The PaalmanPingsMonteCarloAbsorptionTest.FlatPlateTest was failing
      intermittently on Windows. The cause of this was two things:
      a) there was a problem in the duplicates check when adding points into a
      track in Track::addPoint which meant that sometimes a point wasn't added
      even though no duplicate existed already. I think this problem has
      perhaps come about because the track uses a boost smallvector which
      seems to have some slots pre-initialised
      b) there is a vector of V3D points that is populated in
      CSGObject::interceptSurface. The sort order of this wasn't well defined
      meaning that a) produced different results on subsequent runs of the
      same system test. The sort order is driven by the order of some pointers
      to Surfaces in the CSGObject::m_surList member
      I have fixed the bug in a) and have removed the sort on CSGObject::m_surList
      The fix has changed the system test reference file slightly
  11. 21 Oct, 2020 1 commit
  12. 20 Oct, 2020 1 commit
  13. 19 Oct, 2020 2 commits
  14. 14 Oct, 2020 6 commits
  15. 13 Oct, 2020 1 commit
    • Mathieu Tillet's avatar
      Fix issues with time validity in IPF · 4e7768ac
      Mathieu Tillet authored
      First, modifies the validity range check so it is inclusive and
      if there is no provided starting validity date, a value is picked
      Second, makes it so the mutable run correctly gets the parameters in
  16. 09 Oct, 2020 1 commit
  17. 08 Oct, 2020 17 commits