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| author | Thomas White <taw@physics.org> | 2019-09-25 11:34:50 +0200 |
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| committer | Thomas White <taw@physics.org> | 2019-09-25 11:34:50 +0200 |
| commit | feb8e4e62a2c35b1759e3b8e5a3e8025ce06355b (patch) | |
| tree | c87574140975f1dd631fccd2ff0af9e036c7c177 /ChangeLog | |
| parent | 75648facb65436124aa988ddfd7744016e7900b2 (diff) | |
Update ChangeLog
Diffstat (limited to 'ChangeLog')
| -rw-r--r-- | ChangeLog | 14 |
1 files changed, 12 insertions, 2 deletions
@@ -1,19 +1,29 @@ Changes in this development version ----------------------------------- -- Introduce cell_tool +- Introduction of cell_tool +- Addition of PinkIndexer interface - Handle CBF files natively, not via CBFlib - Add Spectrum API -- Improvements to unit cell comparison logic +- New symmetry operation/cell transformation parser +- New unit cell comparison algorithm based on Niggli reduction +- New prediction calculation which works for electrons and wide bandwidth - indexamajig: Removed --no-cell-combinations +- indexamajig: Improvements to indexing result check ("--check-peaks"), + improving results with multi-lattice indexing - indexamajig: Add --zmq-msgpack - indexamajig: Allow individual tolerances for all six parameters - indexamajig: Return non-zero exit status if no patterns were processed - indexamajig: Rename --min-gradient to --min-squared-gradient - indexamajig: Status message updates +- indexamajig: Bandwidth now specified in geometry file (not --fix-bandwidth) +- indexamajig: Individual tolerances for each cell parameter +- indexamajig: Remove 'rescut' integration flag - cell_explorer: Allow enforcement of Bravais lattice type - ambigator: Use pre-defined resolution bins if limits not given +- geoptimiser: Use geometry from stream - partialator: Many stability improvements to post-refinement +- partialator: Parallelise deltaCChalf calculation - partialator: Add --model=offset for monochromatic synchrotron data - partialator/process_hkl: Allow arbitrary polarisation direction and degree |