The CP2K project : input section REPLICA

Section REPLICA

Index of all sections. This section is located at __ROOT__%MOTION%BAND%REPLICA.

Specify coordinates and velocities (possibly) of the replica. This section can be repeated and can not be optional.

Subsections

Section keywords

Keyword descriptions

COLLECTIVE
COLLECTIVE {real} .. {real}
Specifies the value of the collective variables used in the projected BAND method. The order of the values is the order of the COLLECTIVE section in the constraints/restraints section
This optional keyword expects a list of reals
COORD_FILE_NAME
COORD_FILE_NAME
Name of the xyz file with coordinates (alternative to &COORD section)
This optional keyword expects a string. Default value:


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