QUICK: A GPU-enabled ab intio quantum chemistry software package
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Updated
Jun 22, 2024 - C
QUICK: A GPU-enabled ab intio quantum chemistry software package
A lightweight ab initio molecular dynamics simulation program
Siam Quantum: a compact open-source quantum simulation program
Solve Dirac equation for the electrons in an isolated atom
Simulation Package for Ab-initio Real-space Calculations. To cite this Original Software Publication: https://www.sciencedirect.com/science/article/pii/S2352711021000546
A tool to read and operate OpenMX HKS (Kohn-Sham Hamiltonian) files
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