diff --git a/website/intro.md b/website/intro.md index 41b5570..63685cd 100644 --- a/website/intro.md +++ b/website/intro.md @@ -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. \ No newline at end of file +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).