Commit 3a846398 authored by Alvin Noe Ladines's avatar Alvin Noe Ladines
Browse files

Added kwargs to PhonopyParser

parent c9582b3a
from phonopyparser.phonopy_calculators import PhonopyParser
from phonopyparser.phonopy_parser import PhonopyParser
......@@ -21,11 +21,12 @@ from .metainfo import m_env
class PhonopyParser(FairdiParser):
def __init__(self):
def __init__(self, **kwargs):
super().__init__(
name='parsers/phonopy', code_name='Phonopy', code_homepage='https://phonopy.github.io/phonopy/',
mainfile_name_re=(r'(.*/phonopy-FHI-aims-displacement-0*1/control.in$)|(.*/phonon.yaml)')
)
self._kwargs = kwargs
@property
def mainfile(self):
......@@ -182,11 +183,12 @@ class PhonopyParser(FairdiParser):
self.mainfile = filepath
self.archive = archive
self.logger = logger if logger is not None else logging
self._kwargs.update(kwargs)
self._metainfo_env = m_env
phonopy_obj = self.phonopy_obj
self.properties = PhononProperties(self.phonopy_obj, self.logger, **kwargs)
self.properties = PhononProperties(self.phonopy_obj, self.logger, **self._kwargs)
pbc = np.array((1, 1, 1), bool)
......
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