The CP2K project : input section FORCEFIELD

Section FORCEFIELD

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%QMMM%FORCEFIELD.

Specify information on the QM/MM forcefield. This section can be repeated and can not be optional.

Subsections

Section keywords

Keyword descriptions

MULTIPLE_POTENTIAL
MULTIPLE_POTENTIAL T
Enables the possibility to define NONBONDED and NONBONDED14 as a sum of different kinds of potential. Useful for piecewise defined potentials.
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F


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