Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

ppafm-plot-results --atoms requires input_plot.xyz #200

Open
mondracek opened this issue Sep 12, 2023 · 0 comments
Open

ppafm-plot-results --atoms requires input_plot.xyz #200

mondracek opened this issue Sep 12, 2023 · 0 comments

Comments

@mondracek
Copy link
Collaborator

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.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
Development

No branches or pull requests

2 participants