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#1 2024-11-01 11:18:01
- 1sVishnu_sk
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- Registered: 2024-10-30
- Posts: 5
How to run pymolcas with python?[PES SCAN}
is there a way to run pymolcas by integrating with python. i need to run relaxed scan varying the bond length and optimising geometry. how should i go about it.
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