[ase-users] removing rotational and transnational movements in DIMER

[GENG SUN]

Hello,
I wonder how to implement the DIMER-TR method mentioned in this paper into
the ase.dimer.
https://pubs.acs.org/doi/full/10.1021/ct501155k

I checked the code in ase.dimer, but did not figure out where should I
start.
I greatly appreciate any help and comments on this.

Thank you very much in advance.

Best,

Geng
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