faSileSiesta

class sisl.io.siesta.faSileSiesta(filename, mode='r', comment=None, *args, **kwargs)[source]

Forces file

Attributes

base_file

File of the current Sile

file

File of the current Sile

Methods

__init__(self, filename[, mode, comment])

Initialize self.

dir_file(self[, filename])

File of the current Sile

exist(self)

Query whether the file exists

read(self, \*args, \*\*kwargs)

Generic read method which should be overloaded in child-classes

read_data(self)

Reads the forces from the file

read_force(self)

Reads the forces from the file

write(self, \*args, \*\*kwargs)

Generic write method which should be overloaded in child-classes

write_data(self, f[, fmt])

Write forces to file

write_force(self, f[, fmt])

Write forces to file

property base_file

File of the current Sile

dir_file(self, filename=None)

File of the current Sile

exist(self)

Query whether the file exists

property file

File of the current Sile

read(self, *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(self)

Reads the forces from the file

read_force(self)[source]

Reads the forces from the file

write(self, *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_data(self, f, fmt='.9e')

Write forces to file

Parameters
fmtstr, optional

precision of written forces

write_force(self, f, fmt='.9e')[source]

Write forces to file

Parameters
fmtstr, optional

precision of written forces