.. Copyright 2022 NWChemEx-Project .. .. 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. .. image:: assets/logo.png Quantum chemistry seeks to predict and explain phenomena from a large number of domains including (among others): chemistry, physics, biology, chemical engineering, and materials science. The unifying theme of most quantum chemistry techniques is that the system being modeled is described with atomic resolution, i.e., the model accounts for individual nuclei and electrons. In practice, quantum chemistry then goes on to define a number of other concepts such as atoms (the combination of a nucleus with electrons), molecules (a set of atoms), and chemical systems (a molecule plus its environment). Chemist is charged with providing robust, performant, abstractions for concepts commonly encountered in quantum chemistry. .. toctree:: :maxdepth: 2 :caption: Contents: install background/index developer/index tutorials/index C++ API