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Add intro links
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PaulWAyers committed Mar 7, 2024
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Expand Up @@ -9,4 +9,17 @@ This course introduces people to the tools and tricks of software development. K

The course is project-based, meaning that there is little to no lecturing. Instead, useful resources are posted on the web site and participants work together to build/refine/develop software packages. This would be impossible without the assistance of many talented and experienced volunteers.

I strongly recommend using VSCode as your IDE, but PyCharm can also work well.
I strongly recommend using VSCode as your IDE, but PyCharm can also work well.

## Projects
Previous iterations of this course led to open-source packages, including:
- [GBasis](https://gbasis.qcdevs.org/intro.html) Analytical evaluation and integration of Gaussian-type basis functions and related quantities.
- [Grid](https://grid.qcdevs.org/) Numerical integration, interpolation, and differentiation on (molecular) grids.
- [Selector](https://selector.qcdevs.org/intro.html) Methods for selecting diverse (molecular) database.
- [Model Hamiltonian](https://moha.qcdevs.org/build/html/index.html) Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.

This year, we will be working with
- [ChemTools](https://chemtools.org/) A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations. (We will use the private repository rather than the public-facing one, however.)
- [PyCI](https://pyci.qcdevs.org/intro.html) Flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.

For people who would like to follow the course but who are not formally enrolled, it's recommended to select issues from QC-Devs packages that have been labelled as "Good First Issues." QC-Devs packages are released through the [theochem GitHub organization](https://github.com/theochem).

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