sisl.io.siesta.faSileSiesta

class sisl.io.siesta.faSileSiesta(filename, *args, **kwargs)

Bases: SileSiesta

Forces file

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
read_data()	Reads the forces from the file
read_force()	Reads the forces from the file
write(*args, **kwargs)	Generic write method which should be overloaded in child-classes
write_data(f[, fmt])	Write forces to file
write_force(f[, fmt])	Write forces to file
base_file	File of the current Sile
file	File of the current Sile

__init__(filename, mode='r', *args, **kwargs)

Just to pass away the args and kwargs

base_directory(relative_to='.')

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

property base_file

File of the current Sile

close()

dir_file(filename=None, filename_base='')

File of the current Sile

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() → ndarray

Reads the forces from the file

Return type:

ndarray

read_force() → ndarray

Reads the forces from the file

Return type:

ndarray

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_data(f, fmt: str = '.9e')

Write forces to file

Parameters:

fmt (str, optional) – precision of written forces

write_force(f, fmt: str = '.9e')

Write forces to file

Parameters:

fmt (str, optional) – precision of written forces