theochem / horton

HORTON: Helpful Open-source Research TOol for N-fermion systems
http://theochem.github.io/horton/
GNU General Public License v3.0
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Strip CIF load and dump #264

Closed tovrstra closed 7 years ago

tovrstra commented 7 years ago

Motivation: it only worked for some CIF files but not for most that one would get from various crystal structure databases. Symmetry class just served the purpose of representing the content of a CIF file and is therefore removed as well. If we want this back at some point, it should be implemented way more carefully. This started as a quick hack and never matured much beyond that. Last but not least: it is one of those non-modular parts that would require a lot of refactoring, more than the actual code is worth.