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ORCA: example of compound job#224

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berquist merged 1 commit into
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berquist:1618-orca-compound-job
Jun 19, 2025
Merged

ORCA: example of compound job#224
berquist merged 1 commit into
cclib:masterfrom
berquist:1618-orca-compound-job

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This is a geometry optimization followed by EPR properties.

From cclib/cclib#1618

This file parses to completion, but is missing most attributes until cclib/cclib#657 is done.

This is a geometry optimization followed by EPR properties.

From cclib/cclib#1618

Co-authored-by: Isaac Spackman <isaacjspackman@gmail.com>
@berquist berquist added the ORCA label Jun 19, 2025
@berquist berquist merged commit 780a1ae into cclib:master Jun 19, 2025
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@berquist berquist deleted the 1618-orca-compound-job branch June 19, 2025 02:12
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