|
Class Summary |
| AimsReader |
FHI-aims (http://www.fhi-berlin.mpg.de/aims) geometry.in file format
samples of relevant lines in geometry.in file are included as comments below
modified (May 1, 2011, hansonr@stolaf.edu) to account for atom/atom_frac lines
and to bring it into compliance with other load options (such as overriding
file-based symmetry or unit cell parameters). |
| CastepReader |
CASTEP (http://www.castep.org) .cell file format
relevant section of .cell file are included as comments below |
| CrystalReader |
http://www.crystal.unito.it/ |
| ShelxReader |
A reader for SHELX output (RES) files. |
| Wien2kReader |
A reader for Wein2k DFT files. |