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Add option to read in simple keywords for ORCA #124

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marcelmbn opened this issue Feb 17, 2025 · 0 comments
Open

Add option to read in simple keywords for ORCA #124

marcelmbn opened this issue Feb 17, 2025 · 0 comments
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enhancement New feature or request interface

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@marcelmbn
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ORCAConfig should contain an option to read in simple keywords such as ! NoSOSCF or similar.
Simple keywords could be read in as one (comma separated) string like "NoSOSCF,KDIIS", which is then reformatted to the ! <keyword1> <keyword2> ORCA logic.
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