From 219be1e0124bfa37d5c10947c37df3e7a80c007a Mon Sep 17 00:00:00 2001 From: jrudz Date: Thu, 13 Jun 2024 10:20:09 +0200 Subject: [PATCH] reorg --- properties/__init__.py | 32 +++++++++++++++++++ energies.py => properties/energies.py | 0 forces.py => properties/forces.py | 0 .../thermodynamics.py | 0 4 files changed, 32 insertions(+) create mode 100644 properties/__init__.py rename energies.py => properties/energies.py (100%) rename forces.py => properties/forces.py (100%) rename thermodynamics.py => properties/thermodynamics.py (100%) diff --git a/properties/__init__.py b/properties/__init__.py new file mode 100644 index 00000000..c6b0a577 --- /dev/null +++ b/properties/__init__.py @@ -0,0 +1,32 @@ +# +# Copyright The NOMAD Authors. +# +# This file is part of NOMAD. +# See https://nomad-lab.eu for further info. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from .energies import FermiLevel, ChemicalPotential +from .band_gap import ElectronicBandGap +from .spectral_profile import ( + SpectralProfile, + DOSProfile, + ElectronicDensityOfStates, + AbsorptionSpectrum, + XASSpectrum, +) +from .hopping_matrix import HoppingMatrix, CrystalFieldSplitting +from .permittivity import Permittivity +from .fermi_surface import FermiSurface +from .band_structure import ElectronicEigenvalues, ElectronicBandStructure + diff --git a/energies.py b/properties/energies.py similarity index 100% rename from energies.py rename to properties/energies.py diff --git a/forces.py b/properties/forces.py similarity index 100% rename from forces.py rename to properties/forces.py diff --git a/thermodynamics.py b/properties/thermodynamics.py similarity index 100% rename from thermodynamics.py rename to properties/thermodynamics.py