ZhouXY-PKU:patch-1 - Branch - deepmodeling/dpdata

Update ase.py: To avoid errors in writing to the .extxyz format from an Atom object coverted from .npy with dpdata.

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ZhouXY-PKU:patch-1

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9a92619

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c685e62

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test_import

benchmark/test_import.py

256.4 µs256.1 µs

test_cli

benchmark/test_import.py

241.1 µs241.1 µs

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Base

master

c685e62

+0.04%

Update ase.py: To avoid errors in writing to the .extxyz format from an Atom object coverted from .npy with dpdata.

7a10ae6

1 year ago

by ZhouXY-PKU

+0.11%

[pre-commit.ci] auto fixes from pre-commit.com hooks

9de727e

1 year ago

by pre-commit-ci[bot]

-0.1%

Update ase.py: Stress zx to xz

9a92619

1 year ago

by ZhouXY-PKU