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nwchem

Here are 4 public repositories matching this topic...

nwchemgit / nwchem

NWChem: Open Source High-Performance Computational Chemistry

chemistry parallel-computing density-functional-theory nwchem computational-chemistry molecular-simulation quantum-chemistry hartree-fock electronic-structure-calculations

Updated May 5, 2025
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

jeffhammond / nwchem

NWChem: Open Source High-Performance Computational Chemistry

parallel-computing density-functional-theory nwchem quantum-chemistry hartree-fock electronic-structure

Updated Feb 8, 2025
Fortran

SoumenChem / Chebyshev

Chebyshev propagator for RT-TDDFT module in NWChem

density-functional-theory nwchem chebyshev tddft excited-states

Updated May 30, 2021
Fortran

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