GEM implementation in LICHEM #13
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Added the ability to include empirical dispersion corrections in the QM region calculated with Gaussian. |
g-andres
approved these changes
Jan 28, 2024
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New update to include GEM implementation via Psi4 and Tinker-HP from Jorge Nochebuena approved |
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Seamless integration of GEM for QM/MM simulations via LICHEM, Psi4 and Tinker-HP