antioch-0.4.0
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#include <stockmayer_potential.h>
Public Member Functions | |
StockmayerPotential () | |
template<typename StateType > | |
StockmayerPotential (const StateType &T) | |
In case of temperature extrapolation, T is tested. More... | |
~StockmayerPotential () | |
const std::vector< CoeffType > | temperature () const |
const std::vector< CoeffType > | log_temperature () const |
const std::vector< CoeffType > | delta () const |
const std::vector< std::vector < CoeffType > > | omega_1_1 () const |
const std::vector< std::vector < CoeffType > > | omega_2_2 () const |
template<typename StateType > | |
void | extrapolate_to (const StateType &T) |
Extrapolation. More... | |
CoeffType | max_reduced_temperature () const |
Private Member Functions | |
void | init () |
template<typename Scalar > | |
const Scalar | omega_2_2 (const Scalar &T_red, const Scalar &dipole_red) const |
template<typename Scalar > | |
const Scalar | omega_1_1 (const Scalar &T_red, const Scalar &dipole_red) const |
Private Attributes | |
unsigned int | _T_size |
const unsigned int | _delta_size |
std::vector< CoeffType > | _T |
std::vector< CoeffType > | _logT |
std::vector< CoeffType > | _delta |
std::vector< std::vector < CoeffType > > | _omega_1_1 |
std::vector< std::vector < CoeffType > > | _omega_2_2 |
const CoeffType | _max_reduced_T |
Definition at line 56 of file stockmayer_potential.h.
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Definition at line 125 of file stockmayer_potential.h.
References Antioch::StockmayerPotential< CoeffType >::init().
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In case of temperature extrapolation, T is tested.
Definition at line 106 of file stockmayer_potential.h.
References Antioch::StockmayerPotential< CoeffType >::extrapolate_to(), and Antioch::StockmayerPotential< CoeffType >::init().
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Definition at line 141 of file stockmayer_potential.h.
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Definition at line 69 of file stockmayer_potential.h.
References Antioch::StockmayerPotential< CoeffType >::_delta.
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Extrapolation.
Definition at line 149 of file stockmayer_potential.h.
References Antioch::max().
Referenced by Antioch::StockmayerPotential< CoeffType >::StockmayerPotential().
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delta
T
Definition at line 192 of file stockmayer_potential.h.
Referenced by Antioch::StockmayerPotential< CoeffType >::StockmayerPotential().
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Definition at line 67 of file stockmayer_potential.h.
References Antioch::StockmayerPotential< CoeffType >::_logT.
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Definition at line 78 of file stockmayer_potential.h.
References Antioch::StockmayerPotential< CoeffType >::_max_reduced_T.
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Definition at line 71 of file stockmayer_potential.h.
References Antioch::StockmayerPotential< CoeffType >::_omega_1_1.
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Definition at line 72 of file stockmayer_potential.h.
References Antioch::StockmayerPotential< CoeffType >::_omega_2_2.
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Definition at line 65 of file stockmayer_potential.h.
References Antioch::StockmayerPotential< CoeffType >::_T.
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Definition at line 95 of file stockmayer_potential.h.
Referenced by Antioch::StockmayerPotential< CoeffType >::delta().
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Definition at line 92 of file stockmayer_potential.h.
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Definition at line 94 of file stockmayer_potential.h.
Referenced by Antioch::StockmayerPotential< CoeffType >::log_temperature().
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Definition at line 99 of file stockmayer_potential.h.
Referenced by Antioch::StockmayerPotential< CoeffType >::max_reduced_temperature().
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Definition at line 96 of file stockmayer_potential.h.
Referenced by Antioch::StockmayerPotential< CoeffType >::omega_1_1().
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Definition at line 97 of file stockmayer_potential.h.
Referenced by Antioch::StockmayerPotential< CoeffType >::omega_2_2().
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Definition at line 94 of file stockmayer_potential.h.
Referenced by Antioch::StockmayerPotential< CoeffType >::temperature().
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Definition at line 91 of file stockmayer_potential.h.