diff --git a/src/nomad_simulations/__init__.py b/src/nomad_simulations/__init__.py index 3851b452..606c722c 100644 --- a/src/nomad_simulations/__init__.py +++ b/src/nomad_simulations/__init__.py @@ -16,4 +16,5 @@ # See the License for the specific language governing permissions and # limitations under the License. # + from .general import Program, Simulation diff --git a/src/nomad_simulations/atoms_state.py b/src/nomad_simulations/atoms_state.py index b57182d4..b15f3b8d 100644 --- a/src/nomad_simulations/atoms_state.py +++ b/src/nomad_simulations/atoms_state.py @@ -15,24 +15,6 @@ # See the License for the specific language governing permissions and # limitations under the License. # -# -# 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. -# import numpy as np import ase diff --git a/src/nomad_simulations/common.py b/src/nomad_simulations/common.py index 2752bf88..90c58425 100644 --- a/src/nomad_simulations/common.py +++ b/src/nomad_simulations/common.py @@ -15,24 +15,6 @@ # See the License for the specific language governing permissions and # limitations under the License. # -# -# 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. -# # import typing # from structlog.stdlib import BoundLogger diff --git a/src/nomad_simulations/general.py b/src/nomad_simulations/general.py index 16cb13aa..eaec8d3a 100644 --- a/src/nomad_simulations/general.py +++ b/src/nomad_simulations/general.py @@ -15,24 +15,6 @@ # See the License for the specific language governing permissions and # limitations under the License. # -# -# 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. -# import numpy as np diff --git a/src/nomad_simulations/model_system.py b/src/nomad_simulations/model_system.py index c505eef2..e7a99f2a 100644 --- a/src/nomad_simulations/model_system.py +++ b/src/nomad_simulations/model_system.py @@ -15,24 +15,6 @@ # See the License for the specific language governing permissions and # limitations under the License. # -# -# 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. -# import re import numpy as np