force_matching and core/shell
wei.w... at gmail.com
Fri Nov 17 06:26:04 CET 2017
Dear cp2k users and developers,
I had a question regarding the force_matching with a core/shell force field
and reference force file that only contains core forces, e.g. from a core
only force field or DFT. The core/shell force field will calculate all
core and shell forces. How do I tell the code only to optimize the
difference of core forces between force field and reference?
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