ThermoParams¶
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class
ThermoParams
¶ Intensive thermodynamic state variables.
Public Functions
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ThermoParams
(const argtype &args = argtype())¶ args:
beta: inverse temperature, \( \beta = \frac{1}{k_B T} \).
pH: negative of the log-base-10 of the proton concentration.
chemical_potential[i]: chemical potential of the i-th particle type. The [i] is to be substituted for an integer 0, 1, 2, … If only one particle type, you can drop the [i]. The chemical potential must have the inverse units of \(\beta\).
pressure: imposed isotropic system pressure.
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void
set_beta
(const double beta)¶ Set beta.
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double
beta
() const¶ Return beta.
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void
set_pH
(const double pH)¶ Set the pH.
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double
pH
() const¶ Return the pH.
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void
add_chemical_potential
(const double chemical_potential)¶ Add a chemical potential for a given type of particle. Note that z has units length^{-dimension} such that Vz/N is unitless.
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void
set_chemical_potential
(const double mu, const int particle_type = 0)¶ Set the chemical potential of a given type.
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double
chemical_potential
(const int particle_type = 0) const¶ Return the chemical potential of the particle type.
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double
beta_mu
(const int particle_type = 0) const¶ Return the dimensionless product of beta and the chemical potential.
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double
pressure
() const¶ Return the pressure.
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void
set_pressure
(const double pressure)¶ Set the pressure.
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std::string
str
() const¶ Return a human readable string.
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bool
is_equal
(const ThermoParams &thermo_params) const¶ Return true if equivalent.
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