ricalessandri / scattering

Simulated scattering patterns

Simulated scattering patterns

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.

Use

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.

License

Copyright 2018 University of Groningen

Licensed under the Apache License, Version 2.0 (the "License");
you may not use this file except in compliance with the License.
You may obtain a copy of the License at

      http://www.apache.org/licenses/LICENSE-2.0

Unless required by applicable law or agreed to in writing, software
distributed under the License is distributed on an "AS IS" BASIS,
WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
See the License for the specific language governing permissions and
limitations under the License.