The CP2K project : input section THERMAL_REGION

Section THERMAL_REGION

Index of all sections. This section is located at __ROOT__%MOTION%MD%THERMAL_REGION.

Define regions where different initialization and control of the temperature is used. This section can not be repeated and can be optional.

Subsections

Section keywords

Keyword descriptions

FORCE_RESCALING
Control the rescaling ot the velocities in all the regions, according to the temperature assigned to each reagion, when RESTART_VELOCITY in EXT_RESTART is active.
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F


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