Scripts, Tutorials and Applications


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[1] Problem in geometry optimization

[2] script for transmission spectrum various bias

[3] Hexagonal plot of transmission coefficients

[4] How to find the parameters from MEAM potential file and put on the python script

[5] polymers in solution

[6] How to visualize backbone/side chains in polymers

[7] How to define atom types and add them properly

[8] Monomer builder

[9] Updating the DynamicalMatrix object in the loop causes unexpected behavior


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