Fluid input documentation

Specify one of the supported fluid models. Defaults to the Null model (no solvation) if none specified.

Used to initialize class qimpy.fluid.Fluid.

YAML template:

solvent:   # Name of solvent to load default model parameters.
linear:    # Linear-response solvation model:

Component classes:

• Linear

Parameters:

solvent

Type: string, Default:

Name of solvent to load default model parameters.

linear

Type: Linear, Default: null

Linear-response solvation model.