Syntax:

pcm-params <key1> <value1> <key2> <value2> ...

Description:

Adjust PCM solvent parameters. Possible keys and value types are:

cavityPressure: effective pressure on the cavity (hartree per bohr^3) for SCCS and soft sphere models
cavityScale : atomic radius scale factor for soft sphere model
cavityTension : effective surface tension (including dispersion etc.) of the cavity (hartree per bohr^2)
eta_wDiel : fit parameter for dielectric cavity in CANDLE
ionSpacing : extra spacing from dielectric to ionic cavity in bohrs for soft sphere model
lMax : angular momentum truncation in SaLSA
nc : critical density for the PCM cavity shape function
pCavity : sensitivity of cavity to surface electric fields [a.u.] in CANDLE
rhoDelta : electron density change (bohr^-3) for SCCS cavity area calculation
rhoMin : max electron density (bohr^-3) for SCCS cavity switching function
screenOverride: overrides the screening length calculated from fluid-components
sigma : smoothing factor for the PCM cavity shape function
sqrtC6eff : sqrt(effective molecule C6 coefficient) for CANDLE
zMask0 : center in z lattice coordinates for cavity mask (default: 0)
zMaskH : half-width in z lattice coordinates for cavity mask (default: 0 => disabled)
zMaskIonH : half-width in z lattice coordinates for ion cavity mask (default: 0 => disabled)
zMaskSigma : smoothness of z-mask in bohrs (default: 0.5)
Ztot : total valence charge on the solvent, used by CANDLE

Any number of these key-value pairs may be specified in any order.

Requires: fluid-solvent

Forbids: (None)

Allow multiple: no

Default: (None)