#include <phase.hpp>

Public Attributes
bool	match = false
int	nSites = 0
int	nSix = 0
double	a = 0.0
double	c = 0.0
double	density = 0.0
double	meanCoord = 0.0

Detailed Description

Ice XXI library: Lee et al., Nat. Mater. 25, 302 (2026), I-4 2d, Z=152, a=b=20.197 A, c=7.891 A, 1.413 g/cm^3. A hit also requires a tetrahedral four-nearest graph (mean coordination in [3.5, 4.5]) and at least 50 primitive six-rings. A simple-cubic packing of 152 sites in that cell is not a hit.

Definition at line 36 of file phase.hpp.

Member Data Documentation

◆ a

double phase::IceXXIHit::a = 0.0

Definition at line 40 of file phase.hpp.

◆ c

double phase::IceXXIHit::c = 0.0

Definition at line 41 of file phase.hpp.

◆ density

double phase::IceXXIHit::density = 0.0

Definition at line 42 of file phase.hpp.

◆ match

bool phase::IceXXIHit::match = false

Definition at line 37 of file phase.hpp.

◆ meanCoord

double phase::IceXXIHit::meanCoord = 0.0

Definition at line 43 of file phase.hpp.

◆ nSites

int phase::IceXXIHit::nSites = 0

Definition at line 38 of file phase.hpp.

◆ nSix

int phase::IceXXIHit::nSix = 0

Definition at line 39 of file phase.hpp.

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

/home/runner/work/seams-core/seams-core/src/include/internal/phase.hpp

Public Attributes