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add wrapper to pyberny geometry optimizer

Jan Hermann requested to merge jhrmnn/ase:add-pyberny into master

This is a minimalist wrapper to the pyberny geometry optimizer. A simple test case using a MOPAC calculator is included, which is optimized in 7 steps (c.f. 10 steps with BFGS).

I have tried to use the EMT calculator, but the aniline molecule just blows up (with BFGS as well).

Edited by Jan Hermann

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