Openmolcas¶

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Installed versions¶

Read information about how to load this software in your environment by searching for Lmod module.

General information¶

OpenMolcas is a quantum chemistry software package developed by scientists and intended to be used by scientists. It includes programs to apply many different electronic structure methods to chemical systems, but its key feature is the multiconfigurational approach, with methods like CASSCF and CASPT2.