orca2easyspin update #229
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orca2easyspin update #229
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…in or property output files
# Conflicts: # tests/orca2easyspin_directions.m
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for list of remaining ORCA v5 property file issues, see #230 |
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This PR extends
orca2easyspinto be able to read properties for ORCA 3, 4 and 5, either from the main output file or the version-specific property file (binary before 5.0, and text-based 5.0 and later).Addresses #219 .
orca2easyspinto allow reading multiple file types (main output, property files)