ThermoParams
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class ThermoParams
Intensive thermodynamic state variables. Units should be consistent with the particle.
Arguments
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.
Public Functions
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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.