atomes 1.3.1
atomes: an atomic scale modeling tool box
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box_info Struct Reference

#include <glwin.h>

Collaboration diagram for box_info:

Data Fields

double param [2][3]
double vect [3][3]
double rvect [3][3]
mat4_t frac_to_cart
mat4_t cart_to_frac
double vol
double dens

Detailed Description

Definition at line 678 of file glwin.h.

Field Documentation

◆ cart_to_frac

mat4_t cart_to_frac

Cartesian to fractional matrix

Definition at line 686 of file glwin.h.

◆ dens

double dens

Density

Definition at line 688 of file glwin.h.

◆ frac_to_cart

mat4_t frac_to_cart

Fractional to Cartesian matrix

Definition at line 685 of file glwin.h.

◆ param

double param[2][3]

Box parameters:
0: a, b, c
1: alpha, beta, gamma

Definition at line 680 of file glwin.h.

◆ rvect

double rvect[3][3]

Reciprocal vectors

Definition at line 684 of file glwin.h.

◆ vect

double vect[3][3]

Box vectors

Definition at line 683 of file glwin.h.

◆ vol

double vol

Volume

Definition at line 687 of file glwin.h.


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