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verified publisher icon JoshuaSBrown

Support for ORCA

Open prvn-pa opened this issue 5 years ago • 1 comments

Is it possible to extend the support for ORCA pacakage?

prvn-pa avatar Apr 25 '20 21:04 prvn-pa

@prvn-pa So sorry for the delayed response. Yes, if you work with me we can likely come to a solution. Do you have a way of outputting the overlap coefficients, the molecular orbital energies and coefficients? Feel free to ping me if I don't response, sometimes my email account gets overwhelmed.

JoshuaSBrown avatar Jun 23 '20 17:06 JoshuaSBrown