Hello, Has anyone implemented RMSD-based metadynamics in ASE, analogous to the one in Grimme group's xtb and crest? Best, Michal Krompiec / Merck KGaA -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://listserv.fysik.dtu.dk/pipermail/ase-users/attachments/20201026/4ee8d455/attachment.html>