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LOKT.02.048
LOKT.02.048 PublicForked from vilab-tartu/LOKT.02.048
DFT calculations and MD simulations in (electro)chemistry
Jupyter Notebook
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potentialFromDDEC
potentialFromDDEC PublicForked from vilab-tartu/potentialFromDDEC
A script that calculates the potential drop, dipole correction and creates figures from the DDEC6 surface charges
Python
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