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Refine: make
Tongqi Wen edited this page Jul 26, 2020
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4 revisions
dpgen autotest make refine.json
tree confs/std-fcc/vacancy_01/
the output will be:
confs/std-fcc/vacancy_01/
|-- frozen_model.pb -> ../../../frozen_model.pb
|-- in.lammps
`-- task.000000
|-- conf.lmp
|-- frozen_model.pb -> ../frozen_model.pb
|-- in.lammps -> ../in.lammps
|-- inter.json
|-- POSCAR -> ../../vacancy_00/task.000000/CONTCAR
|-- supercell.json -> ../../vacancy_00/task.000000/supercell.json
`-- task.json
an new directory vacancy_01
would be established and the starting configuration links to previous results.
everything starts here
Universal for all property tests
Universal for all property tests except for elastic