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semiempirical-methods

Here are 2 public repositories matching this topic...

openmopac / mopac

Molecular Orbital PACkage

quantum-chemistry electronic-structure molecular-orbital-theory semiempirical-methods

Updated Dec 10, 2024
Fortran

SoumenChem / semiemp

SEMIEMP:Open source code for semiempirical qunatum chemistry calculations

real-time dynamics nwchem excited-states semiempirical-methods hartree-fock-methods chebyshev-polynomials

Updated Dec 25, 2020
Fortran

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