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View Code? Open in Web Editor NEWAiiDA plugin for the OpenMX DFT code
License: MIT License
AiiDA plugin for the OpenMX DFT code
License: MIT License
Currently, the OpenMX input schema uses the same string-case conventions as OpenMX, as written in Input_std.c
(the OpenMX input parser source code).
However, it is fairly inconsistent, and importantly, the input parser is actually case-insensitive.
It could be far simpler for users if we also dealt with this case-insensitively:
UPPERCASE
in the schema, and convert them to that after input in the OpenmxCalculation
lowercase
, and convert them to that after input in the OpenmxCalculation
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