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force-field

Here are 2 public repositories matching this topic...

xtb

grimme-lab / xtb

Semiempirical Extended Tight-Binding Program Package

tight-binding computational-chemistry quantum-chemistry force-field atomistic-simulations

Updated Nov 1, 2024
Fortran

hokru / BrnoFF

Brno Force Field program - alpha version

computational-chemistry force-field

Updated Jan 26, 2022
Fortran

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