Reading SCF orbitals from TREXIO file?

[tibo...@gmail.com]

Dear all,

Molpro has recently gained the capability to write SCF orbitals to TREXIO files, which is a much appreciated addition.

Is it also  possible to read SCF orbitals from TREXIO? This would be a very valuable feature, as it would enable using externally generated SCF guesses to access SCF solutions other than the one(s) Molpro can easily converge to.

Best wishes,

Tibor Győri

[Peter Knowles]

Dear Tibor,

I agree that this would be useful, and it has been added to our wish-list for development.

Peter

On 24 Jul 2026, at 12:55, tibo...@gmail.com <tibo...@gmail.com> wrote:

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