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deepmodeling / dpdata

Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
https://docs.deepmodeling.com/projects/dpdata/
GNU Lesser General Public License v3.0
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[Feature Request] ASE's traj format #610

Closed thangckt closed 4 months ago

thangckt commented 4 months ago

Summary

Dear Developers,

I wonder if dpdata can input ASE's traj ?

Detailed Description

Thank you

Further Information, Files, and Links

No response

QuantumMisaka commented 4 months ago

I do think this is needed, for ASE traj format can widely used for ASE mission, and in which lots of property information will be stored.

Traj file can be LabeledSystem or MultiSystems