Universes¶
Universe
type¶
The Universe
type contains data about a simulation. In order to build an universe,
you can use the following functions.
-
Universe
(cell, topology)¶ Create a new universe with the simulation cell
cell
and the Topologytopology
.
-
setcell!
(universe, cell)¶ Set the simulation cell of
universe
tocell
.
-
setcell!
(universe, [celltype, ]paremeters...) Set the simulation cell of
universe
toUnitCell(parameters..., celltype)
.
-
add_liaison!
(u::Universe, atom_i::Atom, atom_j::Atom)¶ Add a liaison between the atoms at indexes
i
andj
in theuniverse
topology.
-
remove_atom!
(u::Universe, index)¶ Remove the atom at index
i
in theuniverse
topology.
-
remove_liaison!
(u::Universe, atom_i::Atom, atom_j::Atom)¶ Remove any liaison between the atoms at indexes
i
andj
in theuniverse
topology.
The add_interaction!()
function is already documented in the Interactions
section of this document.
Loading initial configurations from files¶
It is often usefull to load initial configurations from files, instead of building it by hand. The Trajectories module provides functionalities for this.