Wrote and updated some docstrings in Phonopy

This commit is contained in:
Atsushi Togo 2020-05-05 16:12:36 +09:00
parent 6702af3045
commit a033695b3c
1 changed files with 13 additions and 0 deletions

View File

@ -195,6 +195,7 @@ class Phonopy(object):
Primitive cell.
"""
return self._primitive
def get_primitive(self):
@ -208,6 +209,7 @@ class Phonopy(object):
Unit cell.
"""
return self._unitcell
def get_unitcell(self):
@ -221,6 +223,7 @@ class Phonopy(object):
Supercell.
"""
return self._supercell
def get_supercell(self):
@ -278,6 +281,7 @@ class Phonopy(object):
shape=(3, 3), dtype='double', order='C'
"""
return self._primitive_matrix
def get_primitive_matrix(self):
@ -508,6 +512,14 @@ class Phonopy(object):
@property
def supercells_with_displacements(self):
"""Supercells with displacements
list of PhonopyAtoms
Supercells with displacements generated by
Phonopy.generate_displacements.
"""
if self._displacement_dataset is None:
return None
else:
@ -520,6 +532,7 @@ class Phonopy(object):
@property
def mesh_numbers(self):
"""Sampling mesh numbers in reciprocal space"""
if self._mesh is None:
return None
else: