Age | Commit message (Collapse) | Author | |
---|---|---|---|
2019-05-07 | Remove intmat_set_all_3x3() | Thomas White | |
2019-03-11 | Change matrix notation to match ITA chapter 5.1 | Thomas White | |
2019-03-11 | tests/transformation_check: Tidy up and be louder | Thomas White | |
2019-03-11 | Keep 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. | |||
2019-03-11 | Be clear about whether functions need rational or integer transformations | Thomas White | |
2019-03-11 | Use IntegerMatrix for all unit cell transformations | Thomas White | |
Get rid of UnitCellTransformation, a thin wrapper which didn't do anything. | |||
2017-09-06 | tests/transformation_check: Check lots more things | Thomas White | |
2014-01-20 | RNG overhaul | Thomas White | |
Previously, we were using random(), which is really really bad. | |||
2012-10-02 | Finishing tweaks for uncentering stuff | Thomas White | |
Today, I have mostly been having my life made difficult by the PDB's invention of "H centering". | |||
2012-10-02 | Finish transformation_check | Thomas White | |
2012-10-02 | More work on transformations | Thomas White | |