.. Copyright 2023 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. .. _statement_of_need: ################# Statement of Need ################# TL;DR Chemist was written to fill a need in the computational chemistry community for a library which: - is modular, - provides abstractions for chemistry concepts, - decouples chemistry concepts to the extent possible, - can serve as a :term:`DSL` across *all* of computational chemistry, - is performant (including data exchange with other formats) - is user-friendly TODO: more details.