LAMBDA | |||||||||||||||||||||||||||||||||||||||
LAMBDA Specifies the lambda parameter of the collective variable in the extended lagrangian scheme.
| This optional keyword expects a real. Default unit: [internal_cp2k]. | MASS |
| MASS | Specifies the mass parameter of the collective variable in the extended lagrangian scheme.
| This optional keyword expects a real. Default unit: [amu]. | GAMMA |
| GAMMA {real}
| Specifies the friction term in Langevin integration of the collective variable in the extended lagrangian scheme.
| This optional keyword expects a real. Default unit: [fs^-1]. | This keyword cites following reference: [VandenEijnden2006] SCALE |
| SCALE | 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.
| This optional keyword expects a real. Default unit: [internal_cp2k]. | variants: WIDTH | COLVAR |
| COLVAR {integer}
| Specifies the colvar on which to apply metadynamics.
| This optional keyword expects an integer | |