aboutsummaryrefslogtreecommitdiff
path: root/src
AgeCommit message (Collapse)Author
2019-07-05FormattingThomas White
2019-07-05geoptimiser: Use geometry from stream, if presentThomas White
Simply omit the -g option to use geometry from stream.
2019-06-25partial_sim: Add --template-streamThomas White
2019-06-25partial_sim: Add missing initialisationsThomas White
2019-06-21partialator: Be more verbose about minimisation failuresThomas White
2019-06-21FormattingThomas White
About the comment: yes, it is. temp2 (T) has already been de-logged by this point.
2019-06-21partialator: Add --force-lambdaThomas White
2019-06-21Actually prevent the use of free-flagged reflections in refinementThomas White
Since we are now using residual() in a numerical minimisation, it's important that it uses either only free-flagged reflections, or only non-free-flagged ones.
2019-06-21partialator: Progress bar for logs/grid scansThomas White
2019-06-19partialator: With --no-free, still show non-free residuals for crystals with ↵Thomas White
too few free reflections
2019-06-19Add missing newlineThomas White
2019-06-19pattern_sim: Fix uninitialised valueThomas White
2019-06-05partialator: Parallelise deltaCChalf calculationThomas White
2019-06-04cell_explorer: Avoid more GTK3-ismsThomas White
2019-06-04cell_explorer: Remove GTK3-ismsThomas White
2019-05-29Normalise sampled spectrum weights to total 1Thomas White
2019-05-29Use Spectrum API for simulationThomas White
2019-05-14Remove image.num_peaks and num_saturated_peaksThomas White
These values were inconsistently set by different parts of the code, e.g. different peak search methods. num_saturated_peaks was even set during final integration. Now, the peak count is taken from the ImageFeatureList, so it's authoritative.
2019-05-14Remove old "statistics" module with R factors etcThomas White
compare_hkl does all of these, much better than these functions.
2019-05-13FussinessThomas White
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.
2019-05-08check_hkl: Report overall completeness and redundancyThomas White
2019-05-08check_hkl: Use unsigned long for reflection countsThomas White
2019-05-08FormattingThomas White
2019-05-08Add new xgandalf optionsYaroslav Gevorkov
2019-05-07Move spectrum type enum to pattern_sim.cThomas White
2019-04-10cell_explorer: Exclude cells when centering type is set to greyThomas White
This is more useful than just changing the colours. Fixes CRYS-224.
2019-04-09cell_explorer: Initialise scd.enforced_cell to NULLThomas White
2019-04-05cell_tool: Add --cslThomas White
2019-04-05cell_explorer: Add enforcement of lattice type restrictions on cell parametersThomas White
2019-04-04cell_explorer: Remove accelerator from "Save histogram data" menu itemThomas White
2019-04-03Fix typoThomas White
2019-04-03cell_explorer: Complain about unknown centeringThomas White
2019-04-03hdfsee: Fix crash with no geometry fileThomas White
2019-03-22cell_explorer: Add option to save histogram dataThomas White
2019-03-20Merge branch 'tom/transformations'Thomas White
2019-03-18FormattingThomas White
2019-03-18hdfsee: Use a fresh detector geometry structure each time a new image is loadedThomas White
If the clen is a literal number, AND there's a coffset, the coffset will be added every time the image data is loaded. Now, it'll start from scratch.
2019-03-13cell_tool: Reject singular transformation matrixThomas White
2019-03-13cell_tool --transform: Write output cellThomas White
2019-03-13cell_tool: Accept unconventional cellThomas White
2019-03-12Rename intmat_intvec_mult to transform_indicesThomas White
2019-03-11cell_tool: Improve messagesThomas White
2019-03-11cell_tool: Add documentation for --transformThomas White
2019-03-11cell_tool: Implement --cell-choicesThomas White
2019-03-11cell_tool: Add --transformThomas 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.
2019-03-11New way of doing cell comparisons, similar to match_cell()Thomas White
2019-03-11Fix tolerances (again)Thomas White
2019-03-11Consider fractional cell lengths during comparisonThomas White
This is WAY too slow. Need another algorithm.
generated by cgit v1.2.3 (git 2.25.1) at 2024-10-03 23:53:07 +0000