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#1 2021-03-03 03:19:28
- David
- Member
- Registered: 2017-05-16
- Posts: 84
QMMM CASPT2 in parallel
Dear developers, does the latest version of OpenMolcas support QM/MM (openmolcas interfaces tinker) CASPT2 calculations in parallel way?
I have tried before, but failed, possiblely due to Tinker's single-core processing....
Last edited by David (2021-03-03 03:22:59)
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