sisl.io.gulp.hessian module

Sile object for reading the Hessian matrix written by GULP

class sisl.io.gulp.hessian.HessianSileGULP(filename, mode='r', comment='#')[source]

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)
readline([comment]) Reads the next line of the file
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)