[CP2K-user] [CP2K:20636] free energy perturbation method with thermodynamic intergration

jiawei ge gejiawei33 at gmail.com
Fri Aug 30 13:26:06 UTC 2024


I want to set coupling parameters for  E h =(1 − h)E is + hE fs. Therefore, 
how do I set the input file?

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