derivs.hpp File Reference

#include <map>
#include <tuple>
#include <numeric>
#include <concepts>
#include "teqp/types.hpp"
#include "teqp/exceptions.hpp"
#include <autodiff/forward/dual.hpp>
#include <autodiff/forward/dual/eigen.hpp>
#include <autodiff/forward/real.hpp>
#include <autodiff/forward/real/eigen.hpp>

Go to the source code of this file.

Classes
struct	teqp::wrt_helper
struct	teqp::TDXDerivatives< Model, Scalar, VectorType >
struct	teqp::VirialDerivatives< Model, Scalar, VectorType >
struct	teqp::IsochoricDerivatives< Model, Scalar, VectorType >
class	teqp::DerivativeHolderSquare< Nderivsmax >

Namespaces
namespace	teqp

Concepts
concept	teqp::CallableAlpha
concept	teqp::CallableAlphar
concept	teqp::CallableAlpharTauDelta

Macros
#define	get_ATrhoXi_runtime_combinations
#define	X(a, b, c)   if (iT == a && iD == b && iXi == c) { return get_ATrhoXi<a,b,c>(w, T, rho, molefrac, i); }
#define	get_ATrhoXiXj_runtime_combinations
#define	X(a, b, c, d)   if (iT == a && iD == b && iXi == c && iXj == d) { return get_ATrhoXiXj<a,b,c,d>(w, T, rho, molefrac, i, j); }
#define	get_ATrhoXiXjXk_runtime_combinations
#define	X(a, b, c, d, e)   if (iT == a && iD == b && iXi == c && iXj == d && iXk == e) { return get_ATrhoXiXjXk<a,b,c,d,e>(w, T, rho, molefrac, i, j, k); }
#define	X(a, b, c)   if (iT == a && iD == b && iXi == c) { return get_AtaudeltaXi<a,b,c>(w, tau, delta, molefrac, i); }
#define	X(a, b, c, d)   if (iT == a && iD == b && iXi == c && iXj == d) { return get_AtaudeltaXiXj<a,b,c,d>(w, tau, delta, molefrac, i, j); }
#define	X(a, b, c, d, e)   if (iT == a && iD == b && iXi == c && iXj == d && iXk == e) { return get_AtaudeltaXiXjXk<a,b,c,d,e>(w, tau, delta, molefrac, i, j, k); }

Enumerations
enum class	teqp::ADBackends { teqp::autodiff }

Functions
template<typename TType , typename ContainerType , typename FuncType >
ContainerType::value_type	teqp::derivT (const FuncType &f, TType T, const ContainerType &rho)
	Given a function, use complex step derivatives to calculate the derivative with respect to the first variable which here is temperature.
template<typename TType , typename ContainerType , typename FuncType , typename Integer >
ContainerType::value_type	teqp::derivrhoi (const FuncType &f, TType T, const ContainerType &rho, Integer i)
	Given a function, use complex step derivatives to calculate the derivative with respect to the given composition variable.
template<typename T , size_t ... I>
auto	teqp::build_duplicated_tuple_impl (const T &val, std::index_sequence< I... >)
template<int N, typename T >
auto	teqp::build_duplicated_tuple (const T &val)
	A function to generate a tuple of N repeated copies of argument val at compile-time.

Macro Definition Documentation

get_ATrhoXi_runtime_combinations

#define get_ATrhoXi_runtime_combinations

Value:

        X(0,0,1) \
        X(0,0,2) \
        X(0,0,3) \
        X(1,0,0) \
        X(1,0,1) \
        X(1,0,2) \
        X(1,0,3) \
        X(0,1,0) \
        X(0,1,1) \
        X(0,1,2) \
        X(0,1,3) \
        X(2,0,0) \
        X(2,0,1) \
        X(2,0,2) \
        X(2,0,3) \
        X(1,1,0) \
        X(1,1,1) \
        X(1,1,2) \
        X(1,1,3) \
        X(0,2,0) \
        X(0,2,1) \
        X(0,2,2) \
        X(0,2,3)

Definition at line 261 of file derivs.hpp.

get_ATrhoXiXj_runtime_combinations

#define get_ATrhoXiXj_runtime_combinations

Value:

        X(0,0,1,0) \
        X(0,0,2,0) \
        X(0,0,0,1) \
        X(0,0,0,2) \
        X(0,0,1,1) \
        X(1,0,1,0) \
        X(1,0,2,0) \
        X(1,0,0,1) \
        X(1,0,0,2) \
        X(1,0,1,1) \
        X(0,1,1,0) \
        X(0,1,2,0) \
        X(0,1,0,1) \
        X(0,1,0,2) \
        X(0,1,1,1)

Definition at line 294 of file derivs.hpp.

get_ATrhoXiXjXk_runtime_combinations

#define get_ATrhoXiXjXk_runtime_combinations

Value:

        X(0,0,0,1,1) \
        X(0,0,1,0,1) \
        X(0,0,1,1,0) \
        X(0,0,1,1,1) \
        X(1,0,0,1,1) \
        X(1,0,1,0,1) \
        X(1,0,1,1,0) \
        X(1,0,1,1,1) \
        X(0,1,0,1,1) \
        X(0,1,1,0,1) \
        X(0,1,1,1,0) \
        X(0,1,1,1,1)

Definition at line 319 of file derivs.hpp.

X [1/6]

#define X	(		a,
			b,
			c )   if (iT == a && iD == b && iXi == c) { return get_ATrhoXi<a,b,c>(w, T, rho, molefrac, i); }

X [2/6]

#define X	(		a,
			b,
			c )   if (iT == a && iD == b && iXi == c) { return get_AtaudeltaXi<a,b,c>(w, tau, delta, molefrac, i); }

X [3/6]

#define X	(		a,
			b,
			c,
			d )   if (iT == a && iD == b && iXi == c && iXj == d) { return get_ATrhoXiXj<a,b,c,d>(w, T, rho, molefrac, i, j); }

X [4/6]

#define X	(		a,
			b,
			c,
			d )   if (iT == a && iD == b && iXi == c && iXj == d) { return get_AtaudeltaXiXj<a,b,c,d>(w, tau, delta, molefrac, i, j); }

X [5/6]

#define X	(		a,
			b,
			c,
			d,
			e )   if (iT == a && iD == b && iXi == c && iXj == d && iXk == e) { return get_ATrhoXiXjXk<a,b,c,d,e>(w, T, rho, molefrac, i, j, k); }

X [6/6]

#define X	(		a,
			b,
			c,
			d,
			e )   if (iT == a && iD == b && iXi == c && iXj == d && iXk == e) { return get_AtaudeltaXiXjXk<a,b,c,d,e>(w, tau, delta, molefrac, i, j, k); }