The CP2K project : input section MM_KIND

Section MM_KIND

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

Information about the mm kind in the qm/mm scheme. This section can be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

_SECTION_PARAMETERS_
O
The MM kind
This optional keyword expects a word
RADIUS
RADIUS real
Specifies the radius of the atomic kinds
This optional keyword expects a real. Default unit: [angstrom], default value: 8.0000000000000004E-01 angstrom
CORR_RADIUS
RADIUS real
Specifies the correction radius of the atomic kinds The correction radius is connected to the use of the compatibility keyword.
This optional keyword expects a real. Default unit: [angstrom].


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