Coef struct
#include <gemmi/it92.hpp>
Contents
- Reference
Public functions
- auto calculate_sf(Real stol2) const -> Real
- auto calculate_density_iso(Real r2, Real B) const -> Real
- auto precalculate_density_iso(Real B, Real fprime = 0) const -> ExpSum<5, Real>
- auto calculate_density_aniso(const Vec3& r, const SMat33<float>& U) const -> Real
- auto precalculate_density_aniso_b(const SMat33<Real>& B, Real fprime = 0) const -> ExpAnisoSum<5, Real>
- auto precalculate_density_aniso_u(const SMat33<float>& U, Real fprime = 0) const -> ExpAnisoSum<5, Real>