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When I call the plot_results.py script with the --atoms option to make it show atom positions in the PNG images it creates, the script requires input_plot.xyz file to be present, otherwise ends with an error. While the file input_plot.xyz might be okay as the default name for the input file with atom coordinates, I think the script should also accept the -i parameter for the input file name and various possible input file formats besides the XYZ one, just as the other scripts do.
The text was updated successfully, but these errors were encountered:
When I call the
plot_results.py
script with the--atoms
option to make it show atom positions in the PNG images it creates, the script requiresinput_plot.xyz
file to be present, otherwise ends with an error. While the fileinput_plot.xyz
might be okay as the default name for the input file with atom coordinates, I think the script should also accept the-i
parameter for the input file name and various possible input file formats besides the XYZ one, just as the other scripts do.The text was updated successfully, but these errors were encountered: