This project is mirrored from https://github.com/mantidproject/mantid.git. Pull mirroring updated .
  1. 29 Jul, 2021 5 commits
  2. 29 Jun, 2021 1 commit
  3. 24 Jun, 2021 2 commits
    • walshmm's avatar
      Pd261 cross correlation max bin shift param (#31855) · 20204472
      walshmm authored
      
      
      * added additional param to control max shift
      
      * building blocks for test data generator
      
      * organized components into objects and tests
      
      * updated parameters for b2bexpconvpv defaults
      
      * added appropriate logic for max shift, still need to refactor
      
      * refactored a bit, deobfuscated names
      
      * fixed some unintention text changes
      
      * moved shiftCorrection Calc, changed maxBins calc
      
      * fixed upper bound issue
      
      * apparently some formatting errors slipped through?
      
      * better way of getting the bin width
      
      * crop cc spectra to region
      
      * a better way of cropping the cc spectra, courtesy of rosswhitfield
      
      * CrossCorrelateTestData fix for non rhel platforms
      
      * warning fixes, hopefully
      
      * forgot to commit the use of an unused variable
      
      * wip test fixes and changes
      
      * Change to use a simpler function
      
      * Create new workspace with only the reference spectrum
      
      * Add second spectrum with horizontal shift
      
      * merge and modified some cross correlate data
      
      * Fill in the other function types for fake data
      
      * wip debugging test stuff, failing spectrum range
      
      * Change logging method
      
      * Minor refactor to collect methods
      
      * Dynamically get number of spectra
      
      * Fix CrossCorrelateTestData, need to fix hard codes difc/difa/t0 values
      
      * added test cases for the CC of a few spectra in a couple algos
      
      * added to cmake file, allowed me to remove gauss simplex def
      
      * revert, breaks on ubuntu, cant add to cmake without removing simplex
      
      * need these changes back, found a solution
      
      * moved gauss declaration fixes cmake issue
      
      * moved TOF to DSpacing conversion vals/calcs
      
      * added fix for logging, requires newline char
      
      * add dllexport to see if that fixes windows
      
      * remove anon namespace while I look into other solutions
      
      * added release notes for new CrossCorrelate param
      
      * moved new param to end for backwards compatibility
      
      Co-authored-by: default avatarHarry Hughes <5n4@ornl.gov>
      Co-authored-by: Peterson, Peter's avatarPete Peterson <petersonpf@ornl.gov>
      Co-authored-by: Whitfield, Ross's avatarRoss Whitfield <whitfieldre@ornl.gov>
      20204472
    • walshmm's avatar
      Pd261 cross correlation max bin shift param (#31698) · 1103f9e7
      walshmm authored
      
      
      * added additional param to control max shift
      
      * building blocks for test data generator
      
      * organized components into objects and tests
      
      * updated parameters for b2bexpconvpv defaults
      
      * added appropriate logic for max shift, still need to refactor
      
      * refactored a bit, deobfuscated names
      
      * fixed some unintention text changes
      
      * moved shiftCorrection Calc, changed maxBins calc
      
      * fixed upper bound issue
      
      * apparently some formatting errors slipped through?
      
      * better way of getting the bin width
      
      * crop cc spectra to region
      
      * a better way of cropping the cc spectra, courtesy of rosswhitfield
      
      * CrossCorrelateTestData fix for non rhel platforms
      
      * warning fixes, hopefully
      
      * forgot to commit the use of an unused variable
      
      * wip test fixes and changes
      
      * Change to use a simpler function
      
      * Create new workspace with only the reference spectrum
      
      * Add second spectrum with horizontal shift
      
      * merge and modified some cross correlate data
      
      * Fill in the other function types for fake data
      
      * wip debugging test stuff, failing spectrum range
      
      * Change logging method
      
      * Minor refactor to collect methods
      
      * Dynamically get number of spectra
      
      * Fix CrossCorrelateTestData, need to fix hard codes difc/difa/t0 values
      
      * added test cases for the CC of a few spectra in a couple algos
      
      * added to cmake file, allowed me to remove gauss simplex def
      
      * revert, breaks on ubuntu, cant add to cmake without removing simplex
      
      * need these changes back, found a solution
      
      * moved gauss declaration fixes cmake issue
      
      * moved TOF to DSpacing conversion vals/calcs
      
      * added fix for logging, requires newline char
      
      * add dllexport to see if that fixes windows
      
      * remove anon namespace while I look into other solutions
      
      * added release notes for new CrossCorrelate param
      
      * moved new param to end for backwards compatibility
      
      Co-authored-by: Peterson, Peter's avatarPete Peterson <petersonpf@ornl.gov>
      Co-authored-by: default avatarHarry Hughes <5n4@ornl.gov>
      Co-authored-by: Whitfield, Ross's avatarRoss Whitfield <whitfieldre@ornl.gov>
      1103f9e7
  4. 11 Jun, 2021 1 commit
  5. 10 Jun, 2021 1 commit
    • David Fairbrother's avatar
      Switch coveralls to coverage and add C++ support · 7b33154d
      David Fairbrother authored
      Switches coveralls to coverage, since we have not used coveralls since
      2018.
      Additionally, we've added gcov tooling support as both an automatic
      target, and manual instructions.
      
      The rest of the diff is changing coveralls into coverage
      7b33154d
  6. 18 May, 2021 1 commit
  7. 23 Apr, 2021 1 commit
    • DannyHindson's avatar
      Create new multiple scattering algorithm based on Muscat (#31078) · 76b48742
      DannyHindson authored
      * Add algorithm using initial files from Spencer
      
      * Replace tabs with spaces so algorithm runs
      
      * Added further comments and adjustments around geometry logic
      
      * Further updates and clarification comments
      
      Added comment to explain use of Rodrigues formula in _q_dir
      Changed formula used for _vl in _start_point to match approach in Fortran code
      and also approach in Mancinelli paper
      Added validation on the fixed input wavelength to ensure it doesn't give qmax
      smaller than the q range in the input workspace
      Added comment to explain 4, 27, 16*16 factors when dividing by QSSum
      
      * Initial C++ version of MuscatElastic algorithm files
      
      * Further work on converting Muscat to C++
      
      * More work on C++ algorithm
      
      * Further work on multiple scattering algorithms/MuscatElastic-v1
      
      Add some further validations to input workspaces
      Fix problem with calculation of new cos two theta
      
      * Fix up event and nscatter loops
      
      * Add additional comment next to mystery factors
      
      * Fix situations where zero track intercepts
      
      * Further work on multiple scattering algorithm
      
      Performance enhancements:
      - make LineIntersectVisit use boost small vector
      - improve the Cylinder::side function by removing the divide by radius and
      replacing with a multiplication
      
      More work onn the algorithm including fixing a few bugs and creation of
      output workspace
      
      * More work on Muscat algorithm
      
      Output workspace group for all scattering orders
      
      Set exp factor to 1 for final track segment if doing J1* calculation
      Achieve this by setting mu equal to zero (note DISCUS manual suggests
      this is achieved by setting path length to zero but end result is same)
      
      Move call to new_vector inside the the simulateEvents method so that
      sigma_total is recalculated with zero absorption correction for the
      J1* case. Will probably also call new_vector more often for inelastic
      version of algorithm in future
      
      * Various changes
      
      Change input workspace units to be wavelength
      Apply equal bins checker to S(Q) workspace and SigmaS
      Fix bug in reading kinc from input WS
      Fix problem with yIndexOfX call with point data
      
      * Couple of small adjustments to align better with python results
      
      Fix couple of bugs in S(Q) interpolation and adjust code for changes to yIndexOfX method
      
      * Various minor improvements and fixes
      
      Fix bug in q_dir where track was being passed by value instead of by ref
      Add comment to python version about q width estimate not being accurate
      Stop updating SOfQ input workspace when running algorithm
      
      * Initial work on unit tests and documentation
      
      * Fill out documentation on MuscatElastic
      
      * Remove maxweight determination to clean up diff
      
      * Changes to tidy up the diff
      
      * Remove normalisation of S(Q) after email exchange with Spencer
      
      * Implement sparse instrument functionality in Muscat
      
      Also add emode switch in anticipation of adding inelastic flavour
      
      * Tidy up interpolation logic
      
      * Update documentation and rename algorithm to Muscat
      
      * Add release note
      
      * Fix failing GeometryTest compilation errors and Doxygen errors
      
      * Couple of changes
      
      Add unit test on interpolateLogQuadratic method
      Update docs as requested by Spencer
      
      * Various changes
      
      Fill out Muscat unit tests to cover interpolation scenarios
      Make it possible to turn off error calculation in InterpolationOption class
      Pull out the Rodrigues formula into updateTrackDirection method to make it
      easier to write targeted unit test on it
      Fix bug in updateTrackDirection where x, y, z coordinates where transposed
      Fix minor glitch in lambda step size calculation when wavelength interpolation
      is turned on
      
      * Fix Doxygen warning and compilation error (OSX)
      
      * Revert factor 0.5 in side method
      
      * Fix linux compiler warnings
      
      * Incorporate review comments
      
      Add various const qualifiers
      Remove original python version of algorithm (MuscatElasticReactor) that was present
      just for validation of the new C++ version
      
      * Incorporate gatekeeper feedback from Martyn
      
      Change algorithm name from Muscat to CalculateMultipleScattering
      Add alias Muscat to the algorithm
      Add warning saying algorithm is still in beta testing phase
      76b48742
  8. 16 Apr, 2021 2 commits
  9. 12 Feb, 2021 1 commit
  10. 19 Jan, 2021 1 commit
  11. 16 Jan, 2021 1 commit
  12. 05 Jan, 2021 2 commits
  13. 18 Dec, 2020 1 commit
  14. 16 Dec, 2020 1 commit
  15. 04 Dec, 2020 2 commits
  16. 03 Dec, 2020 2 commits
  17. 30 Nov, 2020 2 commits
  18. 27 Nov, 2020 1 commit
  19. 23 Nov, 2020 1 commit
  20. 20 Nov, 2020 1 commit
  21. 13 Nov, 2020 1 commit
  22. 22 Oct, 2020 1 commit
  23. 14 Oct, 2020 1 commit
  24. 09 Oct, 2020 1 commit
  25. 25 Aug, 2020 1 commit
  26. 20 Aug, 2020 1 commit
    • Mathieu Tillet's avatar
      Remove unused TCMalloc linking flag · 87e00db3
      Mathieu Tillet authored
      As a first step for switching from TCMalloc to JEMalloc as the custom
      memory allocator, this commit removes every instance of the flag
      TCMALLOC_LIBRARIES_LINKTIME in all the CMakeList.txt files. This flag
      was never used by the code, so this commit is invisible project-wise.
      87e00db3
  27. 31 Jul, 2020 1 commit
    • Danny Hindson's avatar
      Minor changes · 1d7c806b
      Danny Hindson authored
      Change const to constexpr in various places and rename the SparseInstrument
      header\cpp\test files to SparseWorkspace to match the class. Also remove
      redundant try catch clause in MCInteractionVolume::getFullBoundingBox
      1d7c806b
  28. 17 Jul, 2020 2 commits
  29. 15 Jul, 2020 1 commit