RESTRAINT

Activate and specify information on restraint instead of constraint [Edit on GitHub]

Keywords

• K

Keyword descriptions

K

Type: real
Default: 0.00000000E+000 [internal_cp2k]
Usage: K {real}

Description: Specifies the force constant for the harmonic restraint. The functional form for the restraint is: K*(X-TARGET)^2.

[Edit on GitHub]