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#1 2023-09-19 11:29:08

felixp
Member
Registered: 2015-11-06
Posts: 27
Website

Columbus/OpenMolcas distribution

Hello,

We just prepared a binary distribution of Columbus combined with OpenMolcas. The combined binaries can be downloaded here
https://gitlab.com/columbus-program-sys … -/releases

This will allow you to run high-level uncontracted MRCI with OpenMolcas integrals (and if desired RASSCF orbitals). This also works for SHARC and MRCI dynamics.

-Felix

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