Generate scattering curves as described in JACS 139 (10), 3697-3705.
The ipython notebook reproduces the scattering curves shown in Fig. 4 of JACS 139 (10), 3697-3705.
If you find this useful please cite JACS 139 (10), 3697-3705.
Open simulated_scattering_pattern_2017RAJACS.ipynb and go through the implementation. You can also download the notebook (and the input files: 24merPCBM.tpr, as-cast.gro, and annealed.gro) and re-run it yourself -- or adapt it to another morphology or to another system.
Copyright 2018 University of Groningen
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