The CP2K project : input section REFLECTIVE

Section REFLECTIVE

Index of all sections. This section is located at __ROOT__%MOTION%FREE_ENERGY%METADYN%METAVAR%WALL%REFLECTIVE.

Parameters controlling the reflective wall. This section can not be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

DIRECTION
TYPE (WALL_PLUS|WALL_MINUS)
Specify the direction of the wall.
This optional keyword expects a keyword. Default value: WALL_PLUS
valid keywords:
  • WALL_PLUS: Wall extends from the position towards larger values of COLVAR
  • WALL_MINUS: Wall extends from the position towards smaller values of COLVAR


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