struct rgpot::ZBLConfig

Overview

Parameters for the ZBL potential. More…

#include <ZBLPot.hpp>
 
struct ZBLConfig {
    // fields
 
    double cut_inner = 2.0;
    double cut_global = 2.5;
};

Detailed Documentation

Parameters for the ZBL potential.

Plain aggregate with inline defaults matching eOn’s [ZBLPot] options: construct with designated initializers.

Fields

double cut_inner = 2.0

Distance where switching starts (Angstrom).

double cut_global = 2.5

Truncation distance (Angstrom).