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gamessus

Here are 2 public repositories matching this topic...

lmmentel / chemtools

Python tools for quantum chemical calculations

python chemistry optimization gaussian computational-chemistry molecular-simulation quantum-chemistry basis-set molpro gamessus

Updated Jan 19, 2024
Python

clavigne / casscf-tete

casscf-tete helps you build your input decks for GAMESS CAS-SCF calculations.

rust cli compchem public-domain quantum-chemistry static-binary gamessus casscf

Updated Mar 17, 2021
Rust

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