atomes 1.2.1
atomes: an atomic scale modeling tool box
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atomic_object Struct Reference

#include <glwin.h>

+ Collaboration diagram for atomic_object:

Data Fields

int id
 
int origin
 
float dim
 
gchar * name
 
int type
 
int atoms
 
int species
 
int * old_z
 
struct atomat_list
 
int ifcl
 
int * bcid
 
double occ
 
double * baryc
 
int bonds
 
int ** ibonds
 
coord_infocoord
 
atomic_objectprev
 
atomic_objectnext
 

Detailed Description

Definition at line 602 of file glwin.h.

Field Documentation

◆ at_list

struct atom* at_list

List of atom(s) in the object

Definition at line 612 of file glwin.h.

◆ atoms

int atoms

Number of atom(s)

Definition at line 609 of file glwin.h.

◆ baryc

double* baryc

Position barycenter for the object

Definition at line 616 of file glwin.h.

◆ bcid

int* bcid

Cloned bonds ID

Definition at line 614 of file glwin.h.

◆ bonds

int bonds

Number of chemical bonds

Definition at line 617 of file glwin.h.

◆ coord

coord_info* coord

coordination information

Definition at line 619 of file glwin.h.

◆ dim

float dim

Maximum size in x, y or z for the object

Definition at line 606 of file glwin.h.

◆ ibonds

int** ibonds

List of bonds

Definition at line 618 of file glwin.h.

◆ id

int id

Object ID

Definition at line 604 of file glwin.h.

◆ ifcl

int ifcl

Number of clone(s), if any

Definition at line 613 of file glwin.h.

◆ name

gchar* name

Name of the object

Definition at line 607 of file glwin.h.

◆ next

Definition at line 621 of file glwin.h.

◆ occ

double occ

Occupancy (for crystal building purposes)

Definition at line 615 of file glwin.h.

◆ old_z

int* old_z

Temporary buffer to preserve the atomic numbers

Definition at line 611 of file glwin.h.

◆ origin

int origin

Origin project for the object

Definition at line 605 of file glwin.h.

◆ prev

Definition at line 620 of file glwin.h.

◆ species

int species

Number of chemical species

Definition at line 610 of file glwin.h.

◆ type

int type

Type of object

Definition at line 608 of file glwin.h.


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