QUICK: A GPU-enabled ab intio quantum chemistry software package
A simple X11 molecular viewer
CRFlowLib is a collection of computational libraries to simulate chemically reacting flows employing ISAT algorithm.
Rust FFI and wrapper of libcint, a GTO electronic integral engine (C language).
Codes for the paper "Atomic effective potentials for starting molecular electronic structure calculations"
Laboratory Assignments for the fourth semester at NIT Meghalaya
A simple chemistry file conversion CLI which wraps the chemfiles library
Computes atomic (one-center) 1- and 2-electron integrals over Slater-type orbitals
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