occ
Loading...
Searching...
No Matches
occ::cg::EdgeMorphology Struct Reference

A symmetry-unique edge type of the particle shape. More...

#include <morphology_types.h>

Collaboration diagram for occ::cg::EdgeMorphology:
[legend]

Public Attributes

occ::crystal::HKL hkl_a
 
occ::crystal::HKL hkl_b
 
double length {0.0}
 total unit-scale length of this edge type
 
double lambda {0.0}
 Line tension (kJ/mol per Angstrom): the inclusion-exclusion correction to the flat-surface model, per unit edge length (typically negative).
 

Detailed Description

A symmetry-unique edge type of the particle shape.

Member Data Documentation

◆ hkl_a

occ::crystal::HKL occ::cg::EdgeMorphology::hkl_a

◆ hkl_b

occ::crystal::HKL occ::cg::EdgeMorphology::hkl_b

◆ lambda

double occ::cg::EdgeMorphology::lambda {0.0}

Line tension (kJ/mol per Angstrom): the inclusion-exclusion correction to the flat-surface model, per unit edge length (typically negative).

This per-edge value is discretization-sensitive; prefer the length-weighted mean and the per-size e_edge totals.

◆ length

double occ::cg::EdgeMorphology::length {0.0}

total unit-scale length of this edge type


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