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Section VEL_CONTROL

Index of all sections. This section is located at __ROOT__%MOTION%BAND%OPTIMIZE_BAND%MD%VEL_CONTROL.

Setup parameters to control the velocity during a BAND MD run. This section can not be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

ANNEALING
Specify the annealing coefficient
This optional keyword expects a real. Default value: 1.0000000000000000E+00
PROJ_VELOCITY_VERLET
PROJ_VELOCITY_VERLET
Uses a Projected Velocity Verlet instead of a normal Velocity Verlet. Every time the cosine between velocities and forces is < 0 velocities are zeroed.
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: T
SD_LIKE
SD_LIKE
Zeros velocity at each MD step emulating a steepest descent like(SD_LIKE) approach
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F


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