sisl.io.gulp.got module

Sile object for reading/writing GULP in/output

class sisl.io.gulp.got.gotSileGULP(filename, mode='r', comment='#')

Bases: sisl.io.gulp.sile.SileGULP

GULP output file object

Attributes

file	File of the current Sile

Methods

ArgumentParser([parser])	Returns the arguments that may be available for this Sile
ArgumentParser_out([parser])	Appends additional arguments based on the output of the file
is_keys(keys)	Returns true if isinstance(keys,(list,np.ndarray))
key2case(key, case)	Converts str/list of keywords to proper case
keys2case(keys, case)	Converts str/list of keywords to proper case
line_has_key(line, key[, case])
line_has_keys(line, keys[, case])
read(*args, **kwargs)	Generic read method which should be overloaded in child-classes
read_dynmat(*args, **kwargs)
read_es(*args, **kwargs)
read_geom(*args, **kwargs)
read_sc(*args, **kwargs)
read_super(*args, **kwargs)
readline([comment])	Reads the next line of the file
set_dyn_key(key)	Overwrites internal key lookup value for the dynamical matrix vectors
set_es_key(key)	Overwrites internal key lookup value for the dynamical matrix vectors
set_geom_key(key)	Overwrites internal key lookup value for the geometry vectors
set_key(segment, key)	Sets the segment lookup key
set_sc_key(key)	Overwrites internal key lookup value for the cell vectors
step_either(keywords[, case])	Steps the file-handle until the keyword is found in the input
step_to(keywords[, case])	Steps the file-handle until the keyword is found in the input
write(*args, **kwargs)	Generic write method which should be overloaded in child-classes

read_dynmat(*args, **kwargs)

read_es(*args, **kwargs)

read_geom(*args, **kwargs)

read_sc(*args, **kwargs)

read_super(*args, **kwargs)

set_dyn_key(key)

Overwrites internal key lookup value for the dynamical matrix vectors

set_es_key(key)

Overwrites internal key lookup value for the dynamical matrix vectors

set_geom_key(key)

Overwrites internal key lookup value for the geometry vectors

set_key(segment, key)

Sets the segment lookup key

set_sc_key(key)

Overwrites internal key lookup value for the cell vectors