tfrederiksen / inelastica

Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT
https://tfrederiksen.github.io/inelastica
GNU Lesser General Public License v3.0
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Added ability to use jinja2 templates for pbs scripts #65

Closed jonaslb closed 3 years ago

jonaslb commented 3 years ago

I used this to create submission templates that contained expressions like {{hours or 0}}:{{minutes or 0}}, ie. for typing default parameters into a template. It looks for templates in the current working directory (or if you specify a path from root then there).

Jinja can do a lot of things which is probably overkill too, but I felt the need for a bit more than string substitution and then this was just the easy solution.

tfrederiksen commented 3 years ago

Thanks!