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. 2023 May 22;19(20):6933–6991. doi: 10.1021/acs.jctc.3c00182

Figure 1.

Figure 1

Flowchart illustrating the capabilities of the stochastic MCSCF interface. Colors are used to distinguish the different programs: NECI in blue, the RASSCF module of OpenMolcas in orange, other OpenMolcas modules in red, and CASINO in violet.