CIF2Cell Bugs
Generating cells for electronic structure calculations from CIF files
Brought to you by:
torbjornb
# | Summary▾ |
Milestone▾
|
Status▾
|
Owner▾
|
Created▾ | Updated▾ | |
---|---|---|---|---|---|---|---|
17 | cannot import 'gcd' from 'fractions' | v1.0_(example) | open | 2022-01-14 | 2022-01-14 | ||
16 | Hall symbol Unknown (H-M symbol Unknown) | v1.0_(example) | open | 2021-10-20 | 2021-10-20 | ||
15 | Py_InitModule not present in python3 | v1.0_(example) | open | 2021-01-17 | 2021-01-17 | ||
14 | convert cif file for the elk geometry | v1.0_(example) | open | Torbjörn Björkman | 2020-08-10 | 2020-08-10 | |
13 | Error message: cell setup: Cartesian coordinates in CIF, but no transformation matrix given | v1.0_(example) | open | 2020-06-03 | 2020-06-03 | ||
12 | Fix to CASTEP atom label output | v1.0_(example) | open | 2016-08-26 | 2016-08-26 | ||
11 | 'improveprecision' over-used | v1.0_(example) | open | 2016-08-26 | 2016-08-26 | ||
10 | Wrong FCC supercell | v1.0_(example) | open | Torbjörn Björkman | 2016-02-24 | 2016-12-24 | |
7 | ABINIT output leads to crash due to wrong LatticeVector for F lattice | v1.0_(example) | open | Torbjörn Björkman | 2013-11-05 | 2013-11-06 | |
6 | Mixed valence compounds | v1.0_(example) | open | 2013-08-13 | 2013-08-15 | ||
4 | UTF-encoded cif files do not work | v1.0_(example) | open | Torbjörn Björkman | 2013-05-14 | 2013-05-14 |