.. 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.
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Getting Started with NWChemEx
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Superficially the NWChemEx documentation is split into three types of
documentation, depending on the role you occupy while interacting with NWChemEx:
an end-user, a collaborator, or a developer. The roles are not exclusive,
**e.g.**, most developers will be end-users at some point. Nonetheless, start by
asking yourself: "How do I plan to use NWChemEx?"
If you answered along the lines of:
#. "I want to run a computational chemistry calculation."
- Congratulations!!! You are an end-user.
#. "I want to interface my existing code with NWChemEx."
- Awesome!!! You are a collaborator.
#. "I want to contribute source code directly to NWChemEx."
- Welcome to the team!!! You are a developer.
- A link to the developer documentation can be found
`here `_
- The developer documentation is hosted out of the DeveloperTools repo. The
documentation references scripts and other tools located in that repo.
#. "I want to do something else."
- Either NWChemEx is not the project for you or we missed a scenario. Feel
free to contact us using
`GitHub Disscussions `_