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Set of scripts to automate the calculation of crystal lattice energies.
My personal web page
Auto-rename media according to their creation date and time à la Dropbox
Forked from ilyak/libefp
Parallel implementation of the Effective Fragment Potential Method
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Automated conformational search with a genetic algorithm interfaced with a Psi4-input generator for conformers that requires only SMILES as input
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