sisl.io.moldenSile

class sisl.io.moldenSile(filename, *args, **kwargs)

Bases: Sile

Molden file object

Methods

base_directory([relative_to])

Retrieve the base directory of the file, relative to the path relative_to

close()

dir_file([filename, filename_base])

File of the current Sile

read(*args, **kwargs)

Generic read method which should be overloaded in child-classes

write(*args, **kwargs)

Generic write method which should be overloaded in child-classes

write_geometry(geometry[, fmt])

Writes the geometry to the contained file

write_lattice(lattice)

Writes the supercell to the contained file

Attributes

base_file

File of the current Sile

file

File of the current Sile

base_directory(relative_to='.')

Retrieve the base directory of the file, relative to the path relative_to

close()
dir_file(filename=None, filename_base='')

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.

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(geometry, fmt='.8f')[source]

Writes the geometry to the contained file

write_lattice(lattice)[source]

Writes the supercell to the contained file

property base_file

File of the current Sile

property file

File of the current Sile