polar_terms.hpp File Reference

#include "teqp/types.hpp"
#include "teqp/constants.hpp"
#include "teqp/exceptions.hpp"
#include "correlation_integrals.hpp"
#include <optional>
#include <Eigen/Dense>
#include "teqp/math/pow_templates.hpp"
#include <variant>

Go to the source code of this file.

Classes
class	teqp::SAFTpolar::DipolarContributionGrossVrabec
class	teqp::SAFTpolar::QuadrupolarContributionGross
class	teqp::SAFTpolar::DipolarQuadrupolarContributionVrabecGross
class	teqp::SAFTpolar::MultipolarContributionGrossVrabec
struct	teqp::SAFTpolar::MultipolarContributionGubbinsTwuTermsGT< type >
class	teqp::SAFTpolar::MultipolarContributionGubbinsTwu< JIntegral, KIntegral >
struct	teqp::SAFTpolar::PolarizableArrays
class	teqp::SAFTpolar::MultipolarContributionGrayGubbins< JIntegral, KIntegral >

Namespaces
namespace	teqp
namespace	teqp::SAFTpolar

Typedefs
using	teqp::SAFTpolar::multipolar_contributions_variant
	The variant containing the multipolar types that can be provided.

Enumerations
enum class	teqp::SAFTpolar::multipolar_argument_spec { teqp::SAFTpolar::TK_rhoNA3_packingfraction_molefractions , teqp::SAFTpolar::TK_rhoNm3_rhostar_molefractions }
enum class	teqp::SAFTpolar::multipolar_rhostar_approach { teqp::SAFTpolar::kInvalid , teqp::SAFTpolar::use_packing_fraction , teqp::SAFTpolar::calculate_Gubbins_rhostar }

Functions
template<typename Eta , typename MType , typename TType >
auto	teqp::SAFTpolar::get_JDD_2ij (const Eta &eta, const MType &mij, const TType &Tstarij)
	Eq. 10 from Gross and Vrabec.
template<typename Eta , typename MType >
auto	teqp::SAFTpolar::get_JDD_3ijk (const Eta &eta, const MType &mijk)
	Eq. 11 from Gross and Vrabec.
template<typename Eta , typename MType , typename TType >
auto	teqp::SAFTpolar::get_JQQ_2ij (const Eta &eta, const MType &mij, const TType &Tstarij)
	Eq. 12 from Gross and Vrabec, AICHEJ.
template<typename Eta , typename MType >
auto	teqp::SAFTpolar::get_JQQ_3ijk (const Eta &eta, const MType &mijk)
	Eq. 13 from Gross and Vrabec, AICHEJ.
template<typename Eta , typename MType , typename TType >
auto	teqp::SAFTpolar::get_JDQ_2ij (const Eta &eta, const MType &mij, const TType &Tstarij)
	Eq. 16 from Vrabec and Gross, JPCB, 2008. doi: 10.1021/jp072619u.
template<typename Eta , typename MType >
auto	teqp::SAFTpolar::get_JDQ_3ijk (const Eta &eta, const MType &mijk)
	Eq. 17 from Vrabec and Gross, JPCB, 2008. doi: 10.1021/jp072619u.
	teqp::SAFTpolar::NLOHMANN_JSON_SERIALIZE_ENUM (multipolar_rhostar_approach, { {multipolar_rhostar_approach::kInvalid, nullptr}, {multipolar_rhostar_approach::use_packing_fraction, "use_packing_fraction"}, {multipolar_rhostar_approach::calculate_Gubbins_rhostar, "calculate_Gubbins_rhostar"}, }) template< typename type > struct MultipolarContributionGrossVrabecTerms
template<typename KType , typename RhoType , typename Txy >
auto	teqp::SAFTpolar::get_Kijk (const KType &Kint, const RhoType &rhostar, const Txy &Tstarij, const Txy &Tstarik, const Txy &Tstarjk)
template<typename KType , typename RhoType , typename Txy >
auto	teqp::SAFTpolar::get_Kijk_334445 (const KType &Kint, const RhoType &rhostar, const Txy &Tstarij, const Txy &Tstarik, const Txy &Tstarjk)