ORCA: add unrestricted geometry optimization with miniprint #215
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From cclib/cclib#1177 and ezpzbz/aiida-orca#67 Co-authored-by: Daniel Hollas <[email protected]>
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cclib/cclib#1611 needs to be merged first. |
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Or not, I forgot that adding test functions causes an error if the file isn't there. |
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From cclib/cclib#1177 and ezpzbz/aiida-orca#67
This won't parse without a fix.