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Syst section is introduced using the %syst directive.

%syst
  temp        298.15
  epsilon_r   78.3
  ncomp       2
  closure     hnc
  names       P M
  conc        0.5 0.5
  conc_unit   mol_L
%end

In the syst section, the statements/keywords described in the following text are valid. The list is sorted alphabetically.

closure closure_name

Chooses the closure relation to be used.
default: hnc
allowed values: hnc (more to come later)

conc concentrations_of_components

Concentrations for every component, separated by white characters. For unit specification, see conc_unit.
default: none, mandatory parameter
allowed values: real > 0

conc_unit unit_to_be_used

Concentration unit to be used for concentration (see conc).
default: mol_L
allowed values: part_3 (particle density – particles in cubic Å) | mol_L (mol per liter)

epsilon_r epsilon_r_value

Relative permittivitty of the solvent.
default: 78.3
allowed values: real > 0

names names_for_components

You can specify here names of individual components. If not specified, then names A, B, … will be used.
default: A B C …
allowed values: strings separated by white characters

ncomp number_of_components

Number of components. Minimum of one has to be present.
default: none, mandatory parameter
allowed values: integer > 0

temp temperature

Thermodynamic temperature to be used in the calculation.
default: 273.15 K
allowed values: positive real


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