gemmi::ExpSum< N, Real > Struct Template Reference

#include <formfact.hpp>

Public Member Functions
Real	calculate (Real r2) const
std::pair< Real, Real >	calculate_with_derivative (Real r) const

Public Attributes
Real	a [N]
Real	b [N]

Detailed Description

template<int N, typename Real>
struct gemmi::ExpSum< N, Real >

Definition at line 38 of file formfact.hpp.

Member Function Documentation

calculate()

template<int N, typename Real >

Real gemmi::ExpSum< N, Real >::calculate ( Real  r2 ) const

inline

Definition at line 41 of file formfact.hpp.

calculate_with_derivative()

template<int N, typename Real >

std::pair< Real, Real > gemmi::ExpSum< N, Real >::calculate_with_derivative ( Real  r ) const

inline

Definition at line 48 of file formfact.hpp.

Member Data Documentation

a

template<int N, typename Real >

Real gemmi::ExpSum< N, Real >::a[N]

Definition at line 39 of file formfact.hpp.

b

template<int N, typename Real >

Real gemmi::ExpSum< N, Real >::b[N]

Definition at line 39 of file formfact.hpp.

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The documentation for this struct was generated from the following file:

• /home/wojdyr/gemmi/gemmi/include/gemmi/formfact.hpp