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Update README.rst
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BvB93 committed Dec 3, 2018
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Expand Up @@ -108,6 +108,7 @@ Quantum Dots builder
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An example input file (including documentation) is located in qd-example_.
Once the path, input ligands and input cores have been specified the job can be run with ``python qd_input.py``

Update 3 Dec 2018: Ligand optimization has been overhauled, a ligand MOPAC+COSMO-RS property calculation and an inter-ligand activation strain analysis have been (UFF) have been implemented.


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