Giovanni Li Manni's repositories
NECI_4MOLCAS
NECI code to be added as external library to Molcas as GIT submodule. The Molcas/NECI interface is designed to allow users to perform CASSCF calculations using FCIQMC as CI eigensolver, therefore allowing for much larger active spaces.
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skills-code-with-codespaces
Testing Codespace
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