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How to extract the maximum force deviation data in the iterative process and draw the distribution diagram of the maximum force deviation from dpgen calculation results?
#1320
Recently, I read an article about dpgen calculation, which involves the drawing of the distribution of maximum force deviation in the iterative process(fig.4)(J. Chem. Phys. 154, 094703 (2021); doi: 10.1063/5.0041849).I would like to ask how this part of the work is carried out. Can you provide a python script for data extraction and figs drawing?
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Recently, I read an article about dpgen calculation, which involves the drawing of the distribution of maximum force deviation in the iterative process(fig.4)(J. Chem. Phys. 154, 094703 (2021); doi: 10.1063/5.0041849).I would like to ask how this part of the work is carried out. Can you provide a python script for data extraction and figs drawing?
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