METAVAR

Section can be repeated.

This section specify the nature of the collective variables. [Edit on GitHub]

Subsections

WALL

Keywords

COLVAR
GAMMA
LAMBDA
MASS
SCALE

Keyword descriptions

COLVAR: integer

Usage: COLVAR {integer}

Specifies the colvar on which to apply metadynamics. [Edit on GitHub]

GAMMA: real = [fs^-1]

Usage: GAMMA {real}

References: VandenEijnden2006

Specifies the friction term in Langevin integration of the collective variable in the extended lagrangian scheme. [Edit on GitHub]

LAMBDA: real = [internal_cp2k]

Usage: LAMBDA

Specifies the lambda parameter for the coupling of the collective variable with the system coordinates in the extended lagrangian scheme. [Edit on GitHub]

MASS: real = [amu]

Usage: MASS

Specifies the mass parameter of the collective variable in the extended lagrangian scheme. [Edit on GitHub]

SCALE: real = [internal_cp2k]

Aliases: WIDTH

Usage: SCALE

Mentions: ⭐QM/MM with Built-in Force Field

Specifies the scale factor for the following collective variable. The history dependent term has the expression: WW * Sum_{j=1}^{nhills} Prod_{k=1}^{ncolvar} [EXP[-0.5*((ss-ss0(k,j))/SCALE(k))^2]], where ncolvar is the number of defined METAVAR and nhills is the number of spawned hills. [Edit on GitHub]