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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
2018-05-11New scaling testThomas White
Not just for linear scaling
2018-05-07linear_scale_check: Set redundancies for reflection listThomas White
2018-05-07Simplify scalingThomas White
2018-05-07Preparation for adjusting B factor during post-refinementThomas White
Add --no-Bscale option to partialator, and pass down as far as needed residual() no longer does scaling: call scale_one_crystal() first if necessary scale_one() replaces old linear_scale() function to scale a pair of RefLists (but so far does the same as the old function)
2018-03-22OpenCL stuffThomas White
2018-03-22Compile and run testsThomas White
2018-02-27Don't complain loudly about scaling failures during refinementThomas White
As long as it doesn't end up somewhere bad, it can probe where it likes.
2018-02-27Add test for linear scalingThomas White
2018-02-27pattern_sim: Add --flatThomas White
2018-02-27Remove tests/pr_p_gradient_checkThomas White
Will not be needed for new gradient-free minimiser
2018-02-27New partiality model from Ginn et al.Thomas White
2018-02-27Separate partiality calculation from predictionThomas White
2017-10-23Check return values from fread/fgetsThomas White
2017-09-06tests/transformation_check: Check lots more thingsThomas White
2016-12-13Fix tests for new polarisation correctionThomas White
Actually, disable the polarisation correction in the tests.
2016-08-17Fix tests/ring_checkThomas White
2016-08-17Update tests to handle audit lines at end of reflection listsThomas White
2016-07-29Use z component in GPU simulationThomas White
2016-07-29tests/gpu_sim_check: Restore actual check (!)Thomas White
2016-07-29Panel coordinate fixes for GPU simulationThomas White
2016-07-01Remove slab-relative coordinates from testsThomas White
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