Pteros  2.0
Molecular modeling library for human beings!
pteros::Energy_components Struct Reference

Components of the non-bond energy. More...

#include <system.h>

Public Member Functions

std::string to_str ()
 Writes all energy components to string in the following order: total, lj_sr, lj_14, q_sr, q_14.
 
Energy_components operator+ (const Energy_components &other)
 Addition of energies.
 
Energy_componentsoperator+= (const Energy_components &other)
 

Public Attributes

float total
 Total energy.
 
float lj_14
 Lenard-Jones energy of 1-4 pairs.
 
float q_14
 Coloumb energy of 1-4 pairs.
 
float lj_sr
 Short-range Lenard-Jones energy (within cut-off)
 
float q_sr
 Short-range Coloumb energy (within cut-off)
 

Detailed Description

Components of the non-bond energy.


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