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gayverjr / opencap

An open source program for the description of metastable electronic states in molecules.
https://gayverjropencap.readthedocs.io/en/latest/index.html
MIT License
19 stars 7 forks source link

Exit gracefully when numerical integration fails in PyOpenCAP #32

Closed gayverjr closed 3 years ago

gayverjr commented 3 years ago

N2_test.txt