sisl.io.siesta.xvSileSiesta¶
- class sisl.io.siesta.xvSileSiesta(filename, mode='r', comment=None, *args, **kwargs)¶
Bases:
sisl.io.siesta.SileSiesta
Geometry file
Methods
dir_file
([filename, filename_base])File of the current Sile
exist
()Query whether the file exists
read
(*args, **kwargs)Generic read method which should be overloaded in child-classes
Returns an array with the velocities from the XV file
read_geometry
([velocity, species_Z])Returns a Geometry object from the XV file
Returns SuperCell object from the XV file
Returns an array with the velocities from the XV file
write
(*args, **kwargs)Generic write method which should be overloaded in child-classes
write_geometry
(geom[, fmt, velocity])Writes the geometry to the contained file
File of the current Sile
File of the current Sile
- __init__(filename, mode='r', comment=None, *args, **kwargs)¶
- property base_file¶
File of the current Sile
- dir_file(filename=None, filename_base='')¶
File of the current Sile
- exist()¶
Query whether the file exists
- property file¶
File of the current Sile
- read(*args, **kwargs)¶
Generic read method which should be overloaded in child-classes
- Parameters
kwargs – keyword arguments will try and search for the attribute
read_<>
and call it with the remaining**kwargs
as arguments.
- read_data()¶
Returns an array with the velocities from the XV file
- Returns
- Return type
velocity
- read_velocity()[source]¶
Returns an array with the velocities from the XV file
- Returns
- Return type
velocity
- write(*args, **kwargs)¶
Generic write method which should be overloaded in child-classes
- Parameters
**kwargs – keyword arguments will try and search for the attribute write_ and call it with the remaining
**kwargs
as arguments.
- write_geometry(geom, fmt='.9f', velocity=None)[source]¶
Writes the geometry to the contained file
- Parameters
geom (Geometry) – geometry to write in the XV file
fmt (str, optional) – the precision used for writing the XV file
velocity (numpy.ndarray, optional) – velocities to write in the XV file (will be zero if not specified). Units input must be in Ang/fs.