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Look into ASE Gaussian Optimizers #72

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nateharms opened this issue Apr 14, 2020 · 0 comments

nateharms commented Apr 14, 2020

I just saw that ASE now has native TS optimizers and IRC calculations for Gaussian. This may be worth looking into 🤔

See the link below:
https://wiki.fysik.dtu.dk/ase/dev/ase/calculators/gaussian.html

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