Start option with 2025.1
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Aristotle Papakondylis
Mar 5, 2025, 9:41:02 AM3/5/25
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Molpro 2025.1 completely ignores the start option when performing an mcscf using a wfu file created by 2024.3. Any idea?
Thanks
Aristotle
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_________________________________
Aristotle Papakondylis
Associate Professor
Physical Chemistry Laboratory
Department of Chemistry
National & Kapodistrian University of Athens
Panepistimiopolis Zografou
15771 Athens, Greece
Phone:(+30210)7274565
e-mail: papako...@chem.uoa.gr
_________________________________
Aristotle Papakondylis
Associate Professor
Physical Chemistry Laboratory
Department of Chemistry
National & Kapodistrian University of Athens
Panepistimiopolis Zografou
15771 Athens, Greece
Phone:(+30210)7274565
e-mail: papako...@chem.uoa.gr
_________________________________
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