abinit/tests/pymods/yaml_tools/structures/gw.py

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529 B
Python
Executable File

"""Structures dedicated to e-e self-energy e.g. GW computations"""
from ..register_tag import yaml_scalar, yaml_auto_map, yaml_not_available_tag
from .pandas_commons import has_pandas
@yaml_auto_map
class SelfEnergy_ee(object):
"""Results for e-e self-energy for a single k-point and spin."""
if has_pandas:
from .pandas_commons import Table
@yaml_scalar
class SigmaeeData(Table):
"""Store Sigma_nk matrix elements"""
else:
yaml_not_available_tag('SigmaeeData', 'Pandas module is not available')