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jonaslb / psiesta

Python bindings for "Siesta as a subroutine" DFT
https://github.com/jonaslb/psiesta
GNU General Public License v3.0
2 stars 2 forks source link

Raise a Python exception when Siesta fails rather than immediately aborting #1

Open jonaslb opened 4 years ago

jonaslb commented 4 years ago

When Siesta fails, it calls it's own die(message) subroutine which calls abort(). Perhaps we catch sigabrt to stop the crash and raise a Python exception instead (preferably still with the trace).