atomes 1.1.14
atomes: an atomic scale modeling tool box
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search_molecule Struct Reference
+ Collaboration diagram for search_molecule:

Data Fields

int id
 
int md
 
int multiplicity
 
intfragments
 
int natoms
 
intatoms
 
int nspec
 
intspecies
 
int nbonds
 
int ** pbonds
 
int nangles
 
int *** pangles
 
int ** lgeo
 
search_moleculenext
 
search_moleculeprev
 

Detailed Description

Definition at line 64 of file initmol.c.

Field Documentation

◆ atoms

int* atoms

Definition at line 71 of file initmol.c.

◆ fragments

int* fragments

Definition at line 69 of file initmol.c.

◆ id

int id

Definition at line 66 of file initmol.c.

◆ lgeo

int** lgeo

Definition at line 78 of file initmol.c.

◆ md

int md

Definition at line 67 of file initmol.c.

◆ multiplicity

int multiplicity

Definition at line 68 of file initmol.c.

◆ nangles

int nangles

Definition at line 76 of file initmol.c.

◆ natoms

int natoms

Definition at line 70 of file initmol.c.

◆ nbonds

int nbonds

Definition at line 74 of file initmol.c.

◆ next

Definition at line 79 of file initmol.c.

◆ nspec

int nspec

Definition at line 72 of file initmol.c.

◆ pangles

int*** pangles

Definition at line 77 of file initmol.c.

◆ pbonds

int** pbonds

Definition at line 75 of file initmol.c.

◆ prev

Definition at line 80 of file initmol.c.

◆ species

int* species

Definition at line 73 of file initmol.c.


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