A patch for OpenMX package used to quickly compute overlap matrices for large-scale materials structure.
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Updated
Jul 19, 2022 - C
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openmx
Here are 2 public repositories matching this topic...
A tool to read and operate OpenMX HKS (Kohn-Sham Hamiltonian) files
python
science
physics
matlab
density-functional-theory
solid-state-physics
hamiltonian
openmx
kohn-sham
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Updated
Jan 12, 2021 - C
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