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It would be nice if you could share references to draw it for DeePMD and DFT.
For DFT -- As for calculating RDF from DFT data there is functionality available in dpdata, Please tell me if any function is available in dpdata for calculating the distribution of the tetrahedral packing parameter or any other way.
For DeePMD -- I am assuming this will be calculated via LAMMPS only just like RDF. It would be nice if you could direct me to the right resource in LAMMPS.
Sorry for asking such trivial questions, as I didn't find anything regarding this topic in the documentation and workshops.
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Hi,
Objective -- To draw this graph
Tetrahedral_graph
It would be nice if you could share references to draw it for DeePMD and DFT.
For DFT -- As for calculating RDF from DFT data there is functionality available in dpdata, Please tell me if any function is available in dpdata for calculating the distribution of the tetrahedral packing parameter or any other way.
For DeePMD -- I am assuming this will be calculated via LAMMPS only just like RDF. It would be nice if you could direct me to the right resource in LAMMPS.
Sorry for asking such trivial questions, as I didn't find anything regarding this topic in the documentation and workshops.
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