Document how to add a new ao integral type
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- Dominant language
- C++
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Description
This is a note that we need a page on how to add a new ao integral property type. Adding one includes:
- inheriting from NCenter
- update ao_integrals_fwd.hpp
- add header to ao_integrals.hpp
- add type to test_common_TA.hpp
Also should have a section on how to add one templated on the number of centers.
Contributor guide
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start by locating the documentation structure and read ao_integrals_fwd.hpp, ao_integrals.hpp, and test_common_TA.hpp to understand the listed integration points. Add a page covering how to add a new ao integral property type, including the templated number-of-centers case; done means all listed steps are documented clearly.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- cpp
- Domain
- documentation
- Issue type
- Documentation
- Difficulty
- 2/5
- Estimated time
- 1-3 hours
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 52/100