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Broken example: Fitting Lennard-Jones Parameters from Potential Energy Scan
#139
opened Jan 29, 2024 by
KonstantinUshenin
reference of code block in psi4numpy/coupled_cluster/RHF/helper_cceom
#129
opened Sep 29, 2022 by
DavidGoing
ProTip!
Follow long discussions with comments:>50.