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Class Summary | |
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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 |
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. |
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