Orbital printing

[Aristotle Papakondylis]

Hello, molpro users and developers

is there any option to print the complete MCSCF orbitals (natural or others) instead of the sparse orbital print? (Just like the old molpro2015.)

Thank you

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
_________________________________

[Peter Knowles]

Yes, this can be done with

gthresh,thrprint=-1

See https://www.molpro.net/manual/doku.php?id=program_control&s%5B%5D=thrprint#global_thresholds_gthresh for details.

Peter

On 27 May 2025, at 12:50, Aristotle Papakondylis <a.papak...@gmail.com> wrote:

External email to Cardiff University - Take care when replying/opening attachments or links.

Nid ebost mewnol o Brifysgol Caerdydd yw hwn - Cymerwch ofal wrth ateb/agor atodiadau neu ddolenni.

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