Let's get back to science. I have another little python script I would like to show. It's for drawing energy schemes with the help of Matplotlib. In my eyes it is faster this way than if you have to draw it by hand. The package can be downloaded from my homepage.
The output looks for example like this.
The input is a (rather simple) python script. If you want to use the package, the best idea is to modify the example scripts according to your needs. If you have a question you can ask me because I'd be happy if someone actually uses my package.
Here is another example that is a little bit more complex.
Boosting Molecular Dynamics with Socket-Based Communication
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MD simulations can be 10x faster by replacing files with socket
communication. In brief: Our latest publication in the Journal of Physical
Chemistry Letter...
6 days ago
3 comments:
It seems like a nice idea! I normally make mines by hand also. I will give your script a go!
Cheers
Irene
Hello!
Link to your Homepage seems to be dead.
Does the project still exist?
Thanks
hi, thanks. yes my webspace got changed. and i am kind of slowly fixing the links ...
what works is:
www.chemprogs.at.tf
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