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nomad-lab
parser-phonopy
Commits
eac05cd4
Commit
eac05cd4
authored
Apr 07, 2020
by
Lauri Himanen
Browse files
Added support for newer ASE version.
parent
655554d0
Changes
1
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Inline
Side-by-side
phonopyparser/PhononModulesNomad.py
View file @
eac05cd4
...
...
@@ -22,7 +22,11 @@ import os, logging
import
json
from
fnmatch
import
fnmatch
from
ase.geometry
import
cell_to_cellpar
,
crystal_structure_from_cell
from
ase.dft.kpoints
import
special_paths
,
special_points
,
parse_path_string
from
ase.dft.kpoints
import
special_paths
,
parse_path_string
try
:
from
ase.dft.kpoints
import
special_points
except
ImportError
:
from
ase.dft.kpoints
import
sc_special_points
as
special_points
from
phonopy.units
import
*
from
phonopy.structure.atoms
import
Atoms
from
phonopy.interface.FHIaims
import
read_aims
,
write_aims
,
read_aims_output
...
...
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