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Dpdata

Latest version: v0.2.20

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0.1.15

New features:
- support pwmat

0.1.14

New features:
- Shuffle system
- Remove the pbc of the system

Bug fixings:
- Some bugs in qe/cp/traj

Code:
- Function register for a more flexible `fmt` support

0.1.13

New features:
- Replicate and disturb simulation cell
- Support cp2k/aimd_output
- Support nopbc
- Support interfaces to ase and pymatgen structures

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