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Thermal-FIST 1.5
Package for hadron resonance gas model applications
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Class implementing the quantum van der Waals HRG model. More...
#include <ThermalModelVDW.h>
Public Member Functions | |
ThermalModelVDW (ThermalParticleSystem *TPS_, const ThermalModelParameters ¶ms=ThermalModelParameters()) | |
Construct a new ThermalModelVDW object. | |
virtual | ~ThermalModelVDW (void) |
Destroy the ThermalModelVDW object. | |
void | FillVirialEV (const std::vector< std::vector< double > > &bij=std::vector< std::vector< double > >(0)) |
Same as FillVirial() but uses the matrix of excluded-volume coefficients \( v_i \equiv b_{ii} \) as input instead of radii. | |
void | SetVirialdT (int i, int j, double dbdT) |
Set the temperature derivative of the eigenvolume parameter \( \tilde{b}_{ij} \). | |
void | SetAttractiondT (int i, int j, double dadT) |
Set the temperature derivative of the QvdW attraction parameter \( a_{ij} \). | |
double | VirialCoefficientdT (int i, int j) const |
The temperature derivative of the eigenvolume parameter \( \tilde{b}_{ij} \). | |
double | AttractionCoefficientdT (int i, int j) const |
The temperature derivative of the QvdW attraction parameter \( a_{ij} \). | |
void | SetTemperatureDependentAB (bool Tdep) |
Sets whether temperature depedence of QvdW parameters should be considered. | |
bool | TemperatureDependentAB () const |
Whether temperature depedence of QvdW parameters is considered. | |
virtual void | SetMultipleSolutionsMode (bool search) |
Whether to search for multiple solutions of the QvdW equations by considering different initial guesses in the Broyden's method. | |
bool | UseMultipleSolutionsMode () const |
Whether to search for multiple solutions of the QvdW equations by considering different initial guesses in the Broyden's method. | |
double | MuStar (int i) const |
The shifted chemical potential of particle species i. | |
std::vector< double > | GetMuStar () const |
void | SetMuStar (const std::vector< double > &MuStar) |
Set the vector of shifted chemical potentials. | |
void | FillChemicalPotentials () |
Sets the chemical potentials of all particles. | |
virtual void | SetChemicalPotentials (const std::vector< double > &chem=std::vector< double >(0)) |
Sets the chemical potentials of all particles. | |
virtual void | FillVirial (const std::vector< double > &ri=std::vector< double >(0)) |
Fills the excluded volume coefficients \( \tilde{b}_{ij} \) based on the provided radii parameters for all species. | |
virtual void | FillAttraction (const std::vector< std::vector< double > > &aij=std::vector< std::vector< double > >(0)) |
virtual void | ReadInteractionParameters (const std::string &filename) |
Reads the QvdW interaction parameters from a file. | |
virtual void | WriteInteractionParameters (const std::string &filename) |
Write the QvdW interaction parameters to a file. | |
virtual void | SetVirial (int i, int j, double b) |
Set the excluded volume coefficient \( \tilde{b}_{ij} \). | |
virtual void | SetAttraction (int i, int j, double a) |
Set the vdW mean field attraction coefficient \( a_{ij} \). | |
double | VirialCoefficient (int i, int j) const |
Excluded volume coefficient \( \tilde{b}_{ij} = 0 \). | |
double | AttractionCoefficient (int i, int j) const |
QvdW mean field attraction coefficient \( a_{ij} \). | |
virtual void | ChangeTPS (ThermalParticleSystem *TPS) |
Change the particle list. | |
virtual void | CalculatePrimordialDensities () |
Calculates the primordial densities of all species. | |
virtual std::vector< double > | CalculateChargeFluctuations (const std::vector< double > &chgs, int order=4) |
Calculates fluctuations (diagonal susceptibilities) of an arbitrary "conserved" charge. | |
virtual std::vector< std::vector< double > > | CalculateFluctuations (int order) |
void | CalculateTwoParticleCorrelations () |
Computes the fluctuations and correlations of the primordial particle numbers. | |
void | CalculateFluctuations () |
Computes the fluctuation observables. | |
virtual double | CalculatePressure () |
virtual double | CalculateEnergyDensity () |
virtual double | CalculateEntropyDensity () |
virtual double | CalculateEnergyDensityDerivativeT () |
virtual void | CalculateTemperatureDerivatives () |
Computes the temperature derivatives of densities, shifted chemical potentials, and primordial hadron number susceptibilities. | |
virtual double | CalculateBaryonMatterEntropyDensity () |
virtual double | CalculateMesonMatterEntropyDensity () |
virtual double | ParticleScalarDensity (int part) |
bool | IsLastSolutionOK () const |
double | DensityId (int index) |
const std::vector< std::vector< int > > & | VDWComponentIndices () const |
virtual double | DeltaMu (int i) const |
const std::vector< std::vector< double > > & | VirialMatrix () const |
const std::vector< std::vector< double > > & | AttractionMatrix () const |
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ThermalModelBase (ThermalParticleSystem *TPS, const ThermalModelParameters ¶ms=ThermalModelParameters()) | |
Construct a new ThermalModelBase object. | |
virtual | ~ThermalModelBase (void) |
int | ComponentsNumber () const |
Number of different particle species in the list. | |
bool | UseWidth () const |
Whether finite resonance widths are considered. | |
void | SetUseWidth (bool useWidth) |
Sets whether finite resonance widths are used. Deprecated. | |
void | SetUseWidth (ThermalParticle::ResonanceWidthIntegration type) |
Sets the finite resonance widths scheme to use. | |
void | SetNormBratio (bool normBratio) |
Whether branching ratios are renormalized to 100%. | |
bool | NormBratio () const |
void | SetOMP (bool openMP) |
OpenMP support. Currently not used. | |
virtual void | SetParameters (const ThermalModelParameters ¶ms) |
The thermal parameters. | |
const ThermalModelParameters & | Parameters () const |
void | UpdateParameters () |
Calls SetParameters() with current m_Parameters. | |
virtual void | SetTemperature (double T) |
Set the temperature. | |
virtual void | SetBaryonChemicalPotential (double muB) |
Set the baryon chemical potential. | |
virtual void | SetElectricChemicalPotential (double muQ) |
Set the electric chemical potential. | |
virtual void | SetStrangenessChemicalPotential (double muS) |
Set the strangeness chemical potential. | |
virtual void | SetCharmChemicalPotential (double muC) |
Set the charm chemical potential. | |
virtual void | SetGammaq (double gammaq) |
Set the light quark fugacity factor. | |
virtual void | SetGammaS (double gammaS) |
Set the strange quark fugacity factor. | |
virtual void | SetGammaC (double gammaC) |
Set the charm quark fugacity factor. | |
virtual void | SetBaryonCharge (int B) |
Set the total baryon number (for canonical ensemble only) | |
virtual void | SetElectricCharge (int Q) |
Set the total electric charge (for canonical ensemble only) | |
virtual void | SetStrangeness (int S) |
Set the total strangeness (for canonical ensemble only) | |
virtual void | SetCharm (int C) |
Set the total charm (for canonical ensemble only) | |
virtual void | SetRadius (double) |
Set the same excluded volume radius parameter for all species. | |
virtual void | SetRadius (int, double) |
Set the radius parameter for particle species i. | |
virtual void | SetRepulsion (int i, int j, double b) |
Same as SetVirial() but with a more clear name on what is actually does. | |
virtual void | DisableMesonMesonVirial () |
void | DisableMesonMesonRepulsion () |
virtual void | DisableMesonMesonAttraction () |
virtual void | DisableMesonBaryonVirial () |
void | DisableMesonBaryonRepulsion () |
virtual void | DisableMesonBaryonAttraction () |
virtual void | DisableBaryonBaryonVirial () |
void | DisableBaryonBaryonRepulsion () |
virtual void | DisableBaryonBaryonAttraction () |
virtual void | DisableBaryonAntiBaryonVirial () |
void | DisableBaryonAntiBaryonRepulsion () |
virtual void | DisableBaryonAntiBaryonAttraction () |
double | RepulsionCoefficient (int i, int j) const |
bool | QuantumStatistics () const |
virtual void | SetStatistics (bool stats) |
virtual void | SetCalculationType (IdealGasFunctions::QStatsCalculationType type) |
Sets the CalculationType() method to evaluate quantum statistics. Calls the corresponding method in TPS(). | |
virtual void | SetClusterExpansionOrder (int order) |
Set the number of terms in the cluster expansion method. Calls the corresponding method in TPS(). | |
void | SetResonanceWidthShape (ThermalParticle::ResonanceWidthShape shape) |
Set the ThermalParticle::ResonanceWidthShape for all particles. Calls the corresponding method in TPS(). | |
void | SetResonanceWidthIntegrationType (ThermalParticle::ResonanceWidthIntegration type) |
Set the ThermalParticle::ResonanceWidthIntegration scheme for all particles. Calls the corresponding method in TPS(). | |
const std::vector< double > & | ChemicalPotentials () const |
A vector of chemical potentials of all particles. | |
double | ChemicalPotential (int i) const |
Chemical potential of particle species i. | |
virtual void | SetChemicalPotential (int i, double chem) |
Sets the chemical potential of particle species i. | |
virtual double | FullIdealChemicalPotential (int i) const |
Chemical potential entering the ideal gas expressions of particle species i. | |
bool | ConstrainMuB () const |
void | ConstrainMuB (bool constrain) |
bool | ConstrainMuQ () const |
void | ConstrainMuQ (bool constrain) |
bool | ConstrainMuS () const |
void | ConstrainMuS (bool constrain) |
bool | ConstrainMuC () const |
void | ConstrainMuC (bool constrain) |
void | UsePartialChemicalEquilibrium (bool usePCE) |
Sets whether partial chemical equilibrium with additional chemical potentials is used. | |
bool | UsePartialChemicalEquilibrium () |
Whether partial chemical equilibrium with additional chemical potentials is used. | |
void | SetSoverB (double SB) |
The entropy per baryon ratio to be used to constrain the baryon chemical potential. | |
double | SoverB () const |
void | SetQoverB (double QB) |
The electric-to-baryon charge ratio to be used to constrain the electric chemical potential. | |
double | QoverB () const |
void | SetVolume (double Volume) |
Sets the system volume. | |
double | Volume () const |
System volume (fm \(^3\)) | |
void | SetVolumeRadius (double R) |
Sets the system radius. | |
double | CanonicalVolume () const |
The canonical correlation volume V \(_c\) (fm \(^3\)) | |
void | SetCanonicalVolume (double Volume) |
Set the canonical correlation volume V \(_c\). | |
void | SetCanonicalVolumeRadius (double Rc) |
Set the canonical correlation system radius. | |
void | ConstrainChemicalPotentials (bool resetInitialValues=true) |
Constrains the chemical potentials \( \mu_B,\,\mu_Q,\,\mu_S,\,\mu_C \) by the conservation laws imposed. | |
virtual void | FixParameters () |
Method which actually implements ConstrainChemicalPotentials() (for backward compatibility). | |
virtual void | FixParametersNoReset () |
Method which actually implements ConstrainChemicalPotentialsNoReset() (for backward compatibility). | |
virtual bool | SolveChemicalPotentials (double totB=0., double totQ=0., double totS=0., double totC=0., double muBinit=0., double muQinit=0., double muSinit=0., double muCinit=0., bool ConstrMuB=true, bool ConstrMuQ=true, bool ConstrMuS=true, bool ConstrMuC=true) |
The procedure which calculates the chemical potentials \( \mu_B,\,\mu_Q,\,\mu_S,\,\mu_C \) which reproduce the specified total baryon, electric, strangeness, and charm charges of the system. | |
virtual bool | FixChemicalPotentialsThroughDensities (double rhoB=0., double rhoQ=0., double rhoS=0., double rhoC=0., double muBinit=0., double muQinit=0., double muSinit=0., double muCinit=0., bool ConstrMuB=true, bool ConstrMuQ=true, bool ConstrMuS=true, bool ConstrMuC=true) |
The procedure which calculates the chemical potentials \( \mu_B,\,\mu_Q,\,\mu_S,\,\mu_C \) which reproduce the specified baryon, electric, strangeness, and charm densities. | |
virtual void | CalculateDensities () |
Calculates the primordial and total (after decays) densities of all species. | |
virtual void | ValidateCalculation () |
Checks whether issues have occured during the calculation of particle densities in the CalculateDensities() method. | |
std::string | ValidityCheckLog () const |
All messaged which occured during the validation procedure in the ValidateCalculation() method. | |
virtual void | CalculateDensitiesGCE () |
Calculates the particle densities in a grand-canonical ensemble. | |
virtual void | CalculateFeeddown () |
Calculates the total densities which include feeddown contributions. | |
virtual void | CalculateTwoParticleFluctuationsDecays () |
Computes particle number correlations and fluctuations for all final-state particles which are marked stable. | |
virtual double | TwoParticleSusceptibilityPrimordial (int i, int j) const |
Returns the computed primordial particle number (cross-)susceptibility \( \frac{1}{VT^3} \, \langle \Delta N_i \Delta N_j \rangle \) for particles with ids i and j. CalculateFluctuations() must be called beforehand. | |
virtual double | TwoParticleSusceptibilityPrimordialByPdg (long long id1, long long id2) |
Returns the computed primordial particle number (cross-)susceptibility \( \frac{1}{VT^3} \, \langle \Delta N_i \Delta N_j \rangle \) for particles with pdg codes id1 and id2. CalculateFluctuations() must be called beforehand. | |
virtual double | TwoParticleSusceptibilityTemperatureDerivativePrimordial (int i, int j) const |
Returns the computed temperature derivative of the primordial particle number (cross-)susceptibility \( \frac{\partial}{\partial T} \frac{1}{VT^3} \, \langle \Delta N_i \Delta N_j \rangle \) for particles with ids i and j. CalculateFluctuations() must be called beforehand. | |
virtual double | TwoParticleSusceptibilityTemperatureDerivativePrimordialByPdg (long long id1, long long id2) |
Returns the computed temperature derivative of the primordial particle number (cross-)susceptibility \( \frac{\partial}{\partial T} \frac{1}{VT^3} \, \langle \Delta N_i \Delta N_j \rangle \) for particles with pdg codes id1 and id2. CalculateFluctuations() must be called beforehand. | |
virtual double | NetParticleSusceptibilityPrimordialByPdg (long long id1, long long id2) |
Returns the computed (cross-)susceptibility \( \frac{1}{VT^3} \, \langle \Delta N_i \Delta N_j \rangle \) between primordial net-particle numbers for pdg codes id1 and id2. CalculateFluctuations() must be called beforehand. | |
virtual double | TwoParticleSusceptibilityFinal (int i, int j) const |
Returns the computed final particle number (cross-)susceptibility \( \frac{1}{VT^3} \, \langle \Delta N_i \Delta N_j \rangle \) for particles with ids i and j. CalculateFluctuations() must be called beforehand. Both particle species must be those marked stable. | |
virtual double | TwoParticleSusceptibilityFinalByPdg (long long id1, long long id2) |
Returns the computed final particle number (cross-)susceptibility \( \frac{1}{VT^3} \, \langle \Delta N_i \Delta N_j \rangle \) for particles with pdg codes id1 and id2. CalculateFluctuations() must be called beforehand. Both particle species must be those marked stable. | |
virtual double | NetParticleSusceptibilityFinalByPdg (long long id1, long long id2) |
Returns the computed (cross-)susceptibility \( \frac{1}{VT^3} \, \langle \Delta N_i \Delta N_j \rangle \) between final net-particle numbers for pdg codes id1 and id2. CalculateFluctuations() must be called beforehand. | |
virtual double | PrimordialParticleChargeSusceptibility (int i, ConservedCharge::Name chg) const |
Returns the computed primordial particle vs conserved charge (cross-)susceptibility \( \frac{1}{VT^3} \, \langle \Delta N_i \Delta N_chg \rangle \) for particle with id i and conserved charge chg. CalculateFluctuations() must be called beforehand. | |
virtual double | PrimordialParticleChargeSusceptibilityByPdg (long long id1, ConservedCharge::Name chg) |
Returns the computed primordial particle vs conserved charge (cross-)susceptibility \( \frac{1}{VT^3} \, \langle \Delta N_i \Delta N_chg \rangle \) for particle with pdg code id1 and conserved charge chg. CalculateFluctuations() must be called beforehand. | |
virtual double | PrimordialNetParticleChargeSusceptibilityByPdg (long long id1, ConservedCharge::Name chg) |
Returns the computed primordial net particle vs conserved charge (cross-)susceptibility \( \frac{1}{VT^3} \, \langle \Delta N_i \Delta N_chg \rangle \) for particle with pdg code id1 and conserved charge chg. CalculateFluctuations() must be called beforehand. | |
virtual double | FinalParticleChargeSusceptibility (int i, ConservedCharge::Name chg) const |
Returns the computed final (after decays) particle vs conserved charge (cross-)susceptibility \( \frac{1}{VT^3} \, \langle \Delta N_i \Delta N_chg \rangle \) for particle with id i and conserved charge chg. CalculateFluctuations() must be called beforehand. | |
virtual double | FinalParticleChargeSusceptibilityByPdg (long long id1, ConservedCharge::Name chg) |
Returns the computed final (after decays) particle vs conserved charge (cross-)susceptibility \( \frac{1}{VT^3} \, \langle \Delta N_i \Delta N_chg \rangle \) for particle with pdg code id1 and conserved charge chg. CalculateFluctuations() must be called beforehand. | |
virtual double | FinalNetParticleChargeSusceptibilityByPdg (long long id1, ConservedCharge::Name chg) |
Returns the computed final (after decays) net particle vs conserved charge (cross-)susceptibility \( \frac{1}{VT^3} \, \langle \Delta N_i \Delta N_chg \rangle \) for particle with pdg code id1 and conserved charge chg. CalculateFluctuations() must be called beforehand. | |
virtual double | SusceptibilityDimensionfull (ConservedCharge::Name i, ConservedCharge::Name j) const |
A 2nd order susceptibility of conserved charges. | |
virtual void | CalculateSusceptibilityMatrix () |
Calculates the conserved charges susceptibility matrix. | |
virtual void | CalculateProxySusceptibilityMatrix () |
Calculates the susceptibility matrix of conserved charges proxies. | |
virtual void | CalculateParticleChargeCorrelationMatrix () |
Calculates the matrix of correlators between primordial (and also final) particle numbers and conserved charges. | |
Protected Member Functions | |
std::vector< double > | ComputeNp (const std::vector< double > &dmustar) |
std::vector< double > | ComputeNp (const std::vector< double > &dmustar, const std::vector< double > &ns) |
void | CalculateVDWComponentsMap () |
Partitions particles species into sets that have identical VDW parameters. | |
virtual std::vector< double > | SearchSingleSolution (const std::vector< double > &muStarInit) |
Uses the Broyden method with a provided initial guess to determine the shifted chemical potentials by solving the transcendental equations with the Broyden's method. | |
std::vector< double > | SearchMultipleSolutions (int iters=300) |
Uses the Broyden method with different initial guesses to look for different possible solutions of the transcendental equations for shifted chemical potentials. | |
void | SolveEquations () |
virtual double | MuShift (int id) const |
The shift in the chemical potential of particle species i due to the QvdW interactions. | |
Protected Attributes | |
std::vector< double > | m_DensitiesId |
Vector of ideal gas densities with shifted chemical potentials. | |
std::vector< double > | m_scaldens |
Vector of scalar densities. Not used. | |
std::vector< std::vector< double > > | m_Virial |
std::vector< std::vector< double > > | m_Attr |
Matrix of the attractive QvdW coefficients \( a_{ij} \). | |
std::vector< std::vector< double > > | m_VirialdT |
std::vector< std::vector< double > > | m_AttrdT |
bool | m_TemperatureDependentAB |
bool | m_SearchMultipleSolutions |
Whether multiple solutions are considered. | |
bool | m_LastBroydenSuccessFlag |
Whether Broyden's method was successfull. | |
bool | m_VDWComponentMapCalculated |
Whether the mapping to components with the same VDW parameters has been calculated. | |
std::vector< double > | m_MuStar |
Vector of the shifted chemical potentials. | |
std::vector< int > | m_MapTodMuStar |
std::vector< int > | m_MapFromdMuStar |
std::vector< std::vector< int > > | m_dMuStarIndices |
std::vector< std::vector< double > > | m_chi |
std::vector< double > | m_chiarb |
Additional Inherited Members | |
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enum | ThermalModelEnsemble { GCE = 0 , CE = 1 , SCE = 2 , CCE = 3 } |
The list of statistical ensembles. More... | |
enum | ThermalModelInteraction { Ideal = 0 , DiagonalEV = 1 , CrosstermsEV = 2 , QvdW = 3 , RealGas = 4 , MeanField = 5 } |
Type of interactions included in the HRG model. More... | |
Class implementing the quantum van der Waals HRG model.
The model formulation can be found in
V. Vovchenko, M.I. Gorenstein, H. Stoecker, Phys. Rev. Lett. 118, 182301 (2017), http://arxiv.org/pdf/1609.03975.pdf
and in, in more detail, in
V. Vovchenko, A. Motornenko, P. Alba, M.I. Gorenstein, L.M. Satarov, H. Stoecker, Phys. Rev. C 96, 045202 (2017), http://arxiv.org/pdf/1707.09215.pdf
The system of transcendental equations for the "shifted" chemical potentials of hadrons, Eq. (15) in the latter reference, is solved using the Broyden's method.
Definition at line 36 of file ThermalModelVDW.h.
thermalfist::ThermalModelVDW::ThermalModelVDW | ( | ThermalParticleSystem * | TPS_, |
const ThermalModelParameters & | params = ThermalModelParameters() ) |
Construct a new ThermalModelVDW object.
TPS | A pointer to the ThermalParticleSystem object containing the particle list |
params | ThermalModelParameters object with current thermal parameters |
Definition at line 34 of file ThermalModelVDW.cpp.
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Destroy the ThermalModelVDW object.
Definition at line 54 of file ThermalModelVDW.cpp.
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QvdW mean field attraction coefficient \( a_{ij} \).
i | 0-based index of the first particle species |
j | 0-based index of the second particle species |
Reimplemented from thermalfist::ThermalModelBase.
Definition at line 1155 of file ThermalModelVDW.cpp.
double thermalfist::ThermalModelVDW::AttractionCoefficientdT | ( | int | i, |
int | j ) const |
The temperature derivative of the QvdW attraction parameter \( a_{ij} \).
i | 0-based index of the first particle species |
j | 0-based index of the second particle species |
Definition at line 1169 of file ThermalModelVDW.cpp.
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Definition at line 210 of file ThermalModelVDW.h.
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Definition at line 195 of file ThermalModelVDW.h.
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Calculates fluctuations (diagonal susceptibilities) of an arbitrary "conserved" charge.
Each particle specie is assumed to carry a conserved charge with a value provided by an input vector.
Restricted to the grand canonical ensemble.
chgs | A vector with conserved charge values for all species. 0-based indices of the vector must correspond to the 0-based indices of the particle list TPS() |
order | Up to which order the susceptibilities are computed |
Reimplemented from thermalfist::ThermalModelBase.
Definition at line 562 of file ThermalModelVDW.cpp.
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Definition at line 1079 of file ThermalModelVDW.cpp.
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Definition at line 882 of file ThermalModelVDW.cpp.
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Definition at line 1102 of file ThermalModelVDW.cpp.
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Computes the fluctuation observables.
Includes the matrix of 2nd order susceptibilities of conserved charges, as well as particle number correlations and fluctuations, both for primordial yields and after decays.
Reimplemented from thermalfist::ThermalModelBase.
Definition at line 859 of file ThermalModelVDW.cpp.
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Definition at line 747 of file ThermalModelVDW.cpp.
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Definition at line 197 of file ThermalModelVDW.h.
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Definition at line 1122 of file ThermalModelVDW.cpp.
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Calculates the primordial densities of all species.
Implements thermalfist::ThermalModelBase.
Definition at line 401 of file ThermalModelVDW.cpp.
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Computes the temperature derivatives of densities, shifted chemical potentials, and primordial hadron number susceptibilities.
Reimplemented from thermalfist::ThermalModelBase.
Definition at line 913 of file ThermalModelVDW.cpp.
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Computes the fluctuations and correlations of the primordial particle numbers.
More specifically, computes the susceptibility matrix \( \frac{1}{VT^3} \, \langle \Delta N_i^* \Delta N_j^* \rangle \), where \( N_i^* \) is the primordial yield of species i.
Reimplemented from thermalfist::ThermalModelBase.
Definition at line 780 of file ThermalModelVDW.cpp.
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Partitions particles species into sets that have identical VDW parameters.
Definition at line 253 of file ThermalModelVDW.cpp.
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Change the particle list.
TPS | A pointer to new particle list. |
Reimplemented from thermalfist::ThermalModelBase.
Definition at line 187 of file ThermalModelVDW.cpp.
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Returns vector of particle densities for given values of shifted chemical potentials
dmustar | A vector of shifted chemical potentials |
Definition at line 196 of file ThermalModelVDW.cpp.
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Same as ComputeNp(const std::vector<double>&) but using the vector of ideal gas densities as input instead of calculating it
Definition at line 205 of file ThermalModelVDW.cpp.
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Definition at line 208 of file ThermalModelVDW.h.
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Definition at line 203 of file ThermalModelVDW.h.
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Definition at line 108 of file ThermalModelVDW.cpp.
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Sets the chemical potentials of all particles.
Uses the current values of \( \mu_B,\,\mu_Q,\,\mu_S,\,\mu_Q \) to set \( \mu_i \).
Reimplemented from thermalfist::ThermalModelBase.
Definition at line 58 of file ThermalModelVDW.cpp.
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Fills the excluded volume coefficients \( \tilde{b}_{ij} \) based on the provided radii parameters for all species.
Fills the coefficients in accordance with Eqs. (5) and (7) here https://arxiv.org/pdf/1606.06218.pdf
ri | A vector with radii parameters for all species. 0-based indices of the vector must corresponds to the 0-based indices of the particle list TPS() |
Reimplemented from thermalfist::ThermalModelBase.
Definition at line 71 of file ThermalModelVDW.cpp.
void thermalfist::ThermalModelVDW::FillVirialEV | ( | const std::vector< std::vector< double > > & | bij = std::vector< std::vector<double> >(0) | ) |
Same as FillVirial() but uses the matrix of excluded-volume coefficients \( v_i \equiv b_{ii} \) as input instead of radii.
bij | A vector with crossterms excluded-volume coefficients for all pairs of particle species |
Definition at line 97 of file ThermalModelVDW.cpp.
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Returns vector of shifted chemical potentials, one element per each species
Definition at line 145 of file ThermalModelVDW.h.
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Definition at line 201 of file ThermalModelVDW.h.
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The shift in the chemical potential of particle species i due to the QvdW interactions.
i | 0-based particle specie index |
Definition at line 1140 of file ThermalModelVDW.cpp.
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The shifted chemical potential of particle species i.
Definition at line 141 of file ThermalModelVDW.h.
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Definition at line 1134 of file ThermalModelVDW.cpp.
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Reads the QvdW interaction parameters from a file.
Actual implementation is in a derived class.
filename | File with interaction parameters. |
Reimplemented from thermalfist::ThermalModelBase.
Reimplemented in thermalfist::ThermalModelEVCrossterms.
Definition at line 119 of file ThermalModelVDW.cpp.
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Uses the Broyden method with different initial guesses to look for different possible solutions of the transcendental equations for shifted chemical potentials.
Looks for the solution with the largest pressure.
iters | Number of different initial guesses to try |
Definition at line 319 of file ThermalModelVDW.cpp.
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Uses the Broyden method with a provided initial guess to determine the shifted chemical potentials by solving the transcendental equations with the Broyden's method.
muStarInit | Initial guess for the shifted chemical potentials |
Definition at line 290 of file ThermalModelVDW.cpp.
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Set the vdW mean field attraction coefficient \( a_{ij} \).
i | 0-based index of the first particle species |
j | 0-based index of the second particle species |
a | vdW mean field attraction parameter \( a_{ij} \) (GeV fm \(^3\)) |
Reimplemented from thermalfist::ThermalModelBase.
Reimplemented in thermalfist::ThermalModelEVCrossterms.
Definition at line 166 of file ThermalModelVDW.h.
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inline |
Set the temperature derivative of the QvdW attraction parameter \( a_{ij} \).
i | 0-based index of the first particle species |
j | 0-based index of the second particle species |
dadT | \( d a_{ij} / dT \) in the units of fm \(^3\) |
Definition at line 79 of file ThermalModelVDW.h.
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virtual |
Sets the chemical potentials of all particles.
chem | A vector with chemical potentials of all species. 0-based indices of the vector must corresponds to the 0-based indices of the particle list TPS() |
Reimplemented from thermalfist::ThermalModelBase.
Definition at line 64 of file ThermalModelVDW.cpp.
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inlinevirtual |
Whether to search for multiple solutions of the QvdW equations by considering different initial guesses in the Broyden's method.
Multiple solutions in the QvdW model appear e.g. below the critical temperature of the liquid-gas phase transition.
search | Whether multiple solutions of the QvdW equations should be considered. False by default. |
Reimplemented in thermalfist::ThermalModelEVCrossterms.
Definition at line 129 of file ThermalModelVDW.h.
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inline |
Set the vector of shifted chemical potentials.
Definition at line 148 of file ThermalModelVDW.h.
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inline |
Sets whether temperature depedence of QvdW parameters should be considered.
Tdep | true – considered, false – not considered |
Definition at line 107 of file ThermalModelVDW.h.
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inlinevirtual |
Set the excluded volume coefficient \( \tilde{b}_{ij} \).
Excluded parameter for repulsive interaction between particle species i and j.
i | 0-based index of the first particle species |
j | 0-based index of the second particle species |
b | Excluded volume parameter \( \tilde{b}_{ij} \) (fm \(^3\)) |
Reimplemented from thermalfist::ThermalModelBase.
Definition at line 164 of file ThermalModelVDW.h.
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inline |
Set the temperature derivative of the eigenvolume parameter \( \tilde{b}_{ij} \).
i | 0-based index of the first particle species |
j | 0-based index of the second particle species |
dbdT | \( d \tilde{b}_{ij} / dT \) in the units of fm \(^3\) GeV \(^{-1}\) |
Definition at line 69 of file ThermalModelVDW.h.
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protected |
Solve the transcedental equations for the shifted chemical potentials
Definition at line 385 of file ThermalModelVDW.cpp.
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inline |
Whether temperature depedence of QvdW parameters is considered.
Definition at line 116 of file ThermalModelVDW.h.
|
inline |
Whether to search for multiple solutions of the QvdW equations by considering different initial guesses in the Broyden's method.
Definition at line 138 of file ThermalModelVDW.h.
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inline |
Definition at line 207 of file ThermalModelVDW.h.
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virtual |
Excluded volume coefficient \( \tilde{b}_{ij} = 0 \).
Excluded parameter for repulsive interaction between particle species i and j.
i | 0-based index of the first particle species |
j | 0-based index of the second particle species |
Reimplemented from thermalfist::ThermalModelBase.
Definition at line 1148 of file ThermalModelVDW.cpp.
double thermalfist::ThermalModelVDW::VirialCoefficientdT | ( | int | i, |
int | j ) const |
The temperature derivative of the eigenvolume parameter \( \tilde{b}_{ij} \).
i | 0-based index of the first particle species |
j | 0-based index of the second particle species |
Definition at line 1162 of file ThermalModelVDW.cpp.
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inline |
Definition at line 209 of file ThermalModelVDW.h.
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virtual |
Write the QvdW interaction parameters to a file.
Actual implementation is in a derived class.
filename | Output file. |
Reimplemented from thermalfist::ThermalModelBase.
Reimplemented in thermalfist::ThermalModelEVCrossterms.
Definition at line 151 of file ThermalModelVDW.cpp.
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protected |
Matrix of the attractive QvdW coefficients \( a_{ij} \).
Definition at line 275 of file ThermalModelVDW.h.
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protected |
Matrix of the temperature derivatives of the attractive QvdW coefficients \( d a_{ij} / dT \)
Definition at line 283 of file ThermalModelVDW.h.
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protected |
Definition at line 307 of file ThermalModelVDW.h.
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protected |
Definition at line 309 of file ThermalModelVDW.h.
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protected |
Vector of ideal gas densities with shifted chemical potentials.
Definition at line 266 of file ThermalModelVDW.h.
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protected |
Definition at line 305 of file ThermalModelVDW.h.
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protected |
Whether Broyden's method was successfull.
Definition at line 293 of file ThermalModelVDW.h.
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protected |
Definition at line 303 of file ThermalModelVDW.h.
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protected |
Definition at line 301 of file ThermalModelVDW.h.
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protected |
Vector of the shifted chemical potentials.
Definition at line 299 of file ThermalModelVDW.h.
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protected |
Vector of scalar densities. Not used.
Definition at line 269 of file ThermalModelVDW.h.
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protected |
Whether multiple solutions are considered.
Definition at line 290 of file ThermalModelVDW.h.
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protected |
Whether temperature depedence of QvdW parameters is considered.
Definition at line 287 of file ThermalModelVDW.h.
|
protected |
Whether the mapping to components with the same VDW parameters has been calculated.
Definition at line 296 of file ThermalModelVDW.h.
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protected |
Definition at line 272 of file ThermalModelVDW.h.
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protected |
Matrix of the temperature derivatives of the virial (excluded-volume) coefficients \( d \tilde{b}_{ij} / dT \)
Definition at line 279 of file ThermalModelVDW.h.