The CP2K project : input section RESTRAINT

Section RESTRAINT

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%MIXED%RESTRAINT.

Restraint between two force_eval: E = E1 + k*(E1-E2-t)**2. This section can not be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

RESTRAINT_TARGET
RESTRAINT_TARGET
Target value of the restraint (t)
This required keyword expects a real
RESTRAINT_STRENGTH
RESTRAINT_STRENGTH
Strength of the restraint (k) in k*(E1-E2-t)**2
This required keyword expects a real


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