diff options
| author | Thomas White <taw@physics.org> | 2019-02-26 13:18:40 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2019-03-11 16:49:37 +0100 |
| commit | b8c79e07d8d84990122d56a053d822232590a9d5 (patch) | |
| tree | 2e442bdd0be36adb60e0f28d6f351e7e78d9901d /doc | |
| parent | 68e620fe6dd73ef41327f7ebba1c40f9a9ae8b1b (diff) | |
Consider fractional cell lengths during comparison
This is WAY too slow. Need another algorithm.
Diffstat (limited to 'doc')
| -rw-r--r-- | doc/man/cell_tool.1 | 2 |
1 files changed, 1 insertions, 1 deletions
diff --git a/doc/man/cell_tool.1 b/doc/man/cell_tool.1 index eb8a4adf..0390725e 100644 --- a/doc/man/cell_tool.1 +++ b/doc/man/cell_tool.1 @@ -51,7 +51,7 @@ The program will compare the two cells, and report if \fImy_structure.cell\fR ca .PP The tolerance \fItols\fR is given as lengthtol,angtol, in percent and degrees respectively, which will be applied to the real-space unit cell axis lengths and angles. .PP -Note that the comparison is quite limited in the current version. The transformation matrix applied to \fImy_structure.cell\fR is restricted to positive integer (or zero) components, so if \fImy_structure.cell\fR is smaller than the reference, you might need to try swapping the arguments. Even then, it might miss a relationship if one axis is needs to be (say) half the length while another needs to be double. The centering is also ignored. +Note that the comparison ignores the centering of the cell. That means that .SH FINDING INDEXING AMBIGUITIES .PP |