ORCA: add IRC for a Cope rearrangement#129
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berquist merged 1 commit intocclib:masterfrom Apr 28, 2020
schneiderfelipe:master
Merged
ORCA: add IRC for a Cope rearrangement#129berquist merged 1 commit intocclib:masterfrom schneiderfelipe:master
berquist merged 1 commit intocclib:masterfrom
schneiderfelipe:master
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This adds an intrinsic reaction coordinate (IRC) calculation from ORCA 4.2.1 (related to cclib/cclib#842).