[ase-users] energies are lost when switch on remove_rotation_and_translation in NEB

[GENG SUN]

Hello ASE users,

I found that when I switch on remove_rotation_and_translation=True in NEB
module of ASE, the trajectory generated by the optimizers (BFGS for
example) will not contain any energies and forces calculated. This will
cause some difficulties to monitor the process of NEB calculations.

Is there a simple way to fix that?

Thank you very much in advance.

Best,

Geng
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