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merge master into devel
* add unwarp support for lammps dump * let user choose to unwrap and add unittest case * temp to revert format changes * clean up * add warning for unwrap * add UnwrapWarning class
Signed-off-by: kiwi <46419582+wankiwi@users.noreply.github.com> Signed-off-by: kiwi <46419582+wankiwi@users.noreply.github.com>
…ng#355) it is the realization for discussion deepmodeling#350. Signed-off-by: Pan Xiang <panxiang126@gmail.com>
This PR adds the `minimize` method to `System` and also the Minimizer plugins. Also add two minimizers: ASE and AMBER SQM.
njzjz
approved these changes
Oct 3, 2022
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