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2019-03-13cell_transform_rational: Complain if matrix is singularThomas White
2019-03-13determine_centering: Check 1,1,1 in both directionsThomas White
The original centering must be able to provide a lattice point for 1,1,1 in the new centering. The new centering's 1,1,1 point must also map to a lattice point in the original centering. Note that it's no use checking 0,0,0, because it'll just be a load of zeroes.
2019-03-13Rename m to P, to match documentation (including ITA)Thomas White
2019-03-13Rename rtnl_mtx_solve and rtnl_mtx_mult to make their purpose clearerThomas White
2019-03-11Get rid of cell_transform_gsl_reciprocal()Thomas White
It's confusing to have matrices acting on both real and reciprocal vectors. Let's standardise instead on transformations always applying to real-space cells. It was only used in one place.
2019-03-11Change matrix notation to match ITA chapter 5.1Thomas White
2019-03-11Single point of truth for matrix memory layoutThomas White
2019-03-11Add remaining centering types and finalise centering determinationThomas White
2019-03-11Automatic centering determination after transformationThomas White
2019-03-11Initial centering determinationThomas White
2019-03-11Be clear about whether functions need rational or integer transformationsThomas White
2019-03-11Use IntegerMatrix for all unit cell transformationsThomas White
Get rid of UnitCellTransformation, a thin wrapper which didn't do anything.
2018-04-25Clarify error message about inverting matrixThomas White
2018-02-27const-cleanlinessThomas White
2017-09-22cell_new_from_cell(): Don't try to duplicate non-existent parametersThomas White
2017-03-03Return error code if cell can't be invertedThomas White
2014-09-19Remove cell_set_cartesian_{a,b,c}() from APIThomas White
2014-09-19Remove cell_{get,set}_pointgroup() from APIThomas White
2014-09-19Introduce CrystFEL unit cell filesThomas White
2013-09-13Fix incorrect handling of monoclinic C cellsThomas White
2013-07-31Set C=0 for gsl_cblas_dgemm()Thomas White
2012-10-15Add tfn_from_intmat()Thomas White
2012-10-02Finishing tweaks for uncentering stuffThomas White
Today, I have mostly been having my life made difficult by the PDB's invention of "H centering".
2012-10-02More work on transformationsThomas White
2012-10-02Implementation of UnitCellTransformationThomas White
2012-10-02WIPThomas White
2012-10-02WIPThomas White
2012-10-02WIP on cell transformationsThomas White
2012-10-02Remove space group from unit cellThomas White
2012-10-02Move unit cell utility stuff to separate moduleThomas White
2012-10-02WIPThomas White
2012-10-02Handle lattice type, centering and unique axis informationThomas White
2012-08-09Fix crash when there are too many unit cell candidatesThomas White
2012-08-08Fix buglets spotted by new compiler on Fedora 17Thomas White
2012-05-31Merge branch 'master' into tom/speedThomas White
Conflicts: .gitignore
2012-05-30FormattingThomas White
2012-05-25WIP on tidy-upThomas White
2012-03-12Update copyright notices to show actual contribution yearsThomas White
2012-03-09Update licence notices in line with recommendations from TTThomas White
2012-02-25Make --enable-gsl-fudge the defaultThomas White
There's absolutely no sensible reason why this should be optional - it doesn't cause any difficulties when enabled.
2012-02-22GPLv3 boilerplate commentsThomas White
2012-02-22FormattingThomas White
2012-02-22Added "--tolerance" option in indexamajigLorenzo Galli
2012-02-22Introduce "libcrystfel"Thomas White
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