QUICK: A GPU-enabled ab intio quantum chemistry software package
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Updated
May 24, 2024 - C
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.
Laboratory Assignments for the fourth semester at NIT Meghalaya
Codes for the paper "Atomic effective potentials for starting molecular electronic structure calculations"
A simple chemistry file conversion CLI which wraps the chemfiles library
A light-weight sTD-DFT library and runner
Computes atomic (one-center) 1- and 2-electron integrals over Slater-type orbitals
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