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2019-08-29prediction_gradient_check: Reduce bandwidthThomas White
Gradients are only correct for monochromatic radiation
2019-08-28prediction_gradient_check, prof2d_check: Set up Spectrum structureThomas White
2019-08-28Rationalise matrix mutliplicationThomas White
compare_reindexed_cell_parameters still needs to be updated
2019-08-22cellcompare_check: Fix terminology, and reduce number of trialsThomas White
2019-08-22Remove match_cell and match_cell_abThomas White
2019-08-22cellcompare_check: Variable for number of trialsThomas White
2019-08-22Final implementation of Niggli-based cell comparisonThomas White
2019-08-22Tidy up comparison function definitionsThomas White
Especially, remove the last ltl/atl tolerance values.
2019-08-22Determine cell reduction tolerance automaticallyThomas White
2019-08-22Working Niggli reductionThomas White
2019-08-22Framework for new unit cell comparison functionThomas White
2019-08-16cellcompare_check: Progress barsThomas White
2019-08-16Don't use H centering for cell comparison checkThomas White
2019-08-16Reduce range of reindexing matricesThomas White
2019-08-16Set centering on input cellThomas White
2019-08-16Pass transformation matrix for debuggingThomas White
2019-08-16Implement random reindexing matrixThomas White
2019-08-16"Final" cellcompare_checkThomas White
2019-08-16Add cellcompare_checkThomas White
2019-07-30Spectrum: Define Gaussian using area, not heightThomas White
2019-06-04gpu_sim_check: Increase tolerance from 1.1% to 1.2%Thomas White
1.13% deviation now observed in the wild, with no other problems.
2019-05-29Fix SASE simulationThomas White
2019-05-29Spectrum generationThomas White
2019-05-29Use Spectrum API for simulationThomas White
2019-05-15Complete implementation of Spectrum APIThomas White
2019-05-14Move Histogram out of APIThomas White
It's only used by two test programs
2019-05-14gpu_sim_check: Increase tolerance from 1% to 1.1%Thomas White
1.03% deviation was observed in the wild, with no apparent problems.
2019-05-13gpu_sim_check: Succeed if GPU not availableThomas White
On recent OSes, OpenCL (the API) is always available, but a GPU device not always. Therefore, this test will always be built, and shouldn't fail just because a GPU isn't present.
2019-05-07Remove intmat_set_all_3x3()Thomas White
2019-03-13Rename rtnl_mtx_solve and rtnl_mtx_mult to make their purpose clearerThomas White
2019-03-11Change matrix notation to match ITA chapter 5.1Thomas White
2019-03-11tests/transformation_check: Tidy up and be louderThomas White
2019-03-11Keep track of the "un-centering" matrix, as well as the "centering"Thomas White
This makes it easy to reverse the transformation, if required, which it is when comparing centered cells.
2019-03-11Be clear about whether functions need rational or integer transformationsThomas White
2019-03-11Add new rational number libraryThomas White
2019-03-11Use IntegerMatrix for all unit cell transformationsThomas White
Get rid of UnitCellTransformation, a thin wrapper which didn't do anything.
2018-11-14Merge branch 'tom/logmerge'Thomas White
2018-09-10Change image.spectrum to image.spectrum0 to use a different structure for ↵Alexandra Tolstikova
spectrum.
2018-06-28Fix tests for log mergingThomas White
2018-06-25Rename first/second/third/fourth_merge_check to process_hkl_check_1/2/3/4Thomas White
2018-06-25Test the compiled binaries, not the installed onesThomas White
2018-06-25Switch remaining tests from "ex" to "sed"Thomas White
2018-06-22tests/first_merge_check: Fix bracketThomas White
2018-06-11Use different temporary filenames for partialator merge checksThomas White
...because they might be run in parallel.
2018-05-24adapt cmake to link to fdip includes in testsYaroslav Gevorkov
2018-05-17Remove .gitignore completelyThomas White
2018-05-17Remove old test from CMakeLists.txtThomas White
2018-05-17Merge branch 'tom/cmake'Thomas White
2018-05-11Add --no-logs to partialator testsThomas White
2018-05-11Much better way of stripping the audit information out of hkl filesThomas White
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