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Commits on Dec 15, 2024

• Merge pull request #29 from shdchen/patch-1

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Commits on Dec 4, 2024

• update pybind11

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• Merge pull request #27 from psn417/master

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Commits on Jun 1, 2024

• Merge pull request #26 from bigd4/disable_printing

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• Not show c++ infomation

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Commits on May 23, 2024

• Update phono.py

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Commits on Feb 1, 2024

• Merge pull request #24 from psn417/master

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Commits on Dec 27, 2023

• Merge pull request #22 from qhjia/patch-1

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Commits on Dec 21, 2023

• Merge pull request #21 from Jonsnow-willow/master

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Commits on Aug 18, 2023

• adjoint calculator

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• Merge pull request #20 from Jonsnow-willow/master

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Commits on Jun 25, 2023

• Merge pull request #18 from Kick-H/Kick-H-patch-1

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Commits on Apr 9, 2023

• use pybind11 mirror

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Commits on Mar 13, 2023

• sklearn->scikit-learn

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• update nep_cpu

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Commits on Dec 11, 2022

• Merge pull request #13 from psn417/master

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Commits on Oct 20, 2022

• Merge pull request #9 from Kick-H/master

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Commits on Oct 7, 2022

• Merge pull request #8 from Kick-H/master

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Commits on Sep 29, 2022

• Merge pull request #7 from Kick-H/master

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• Merge pull request #6 from tamaswells/patch-1

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Commits on Sep 27, 2022

• Merge pull request #3 from Kick-H/master

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Commits on Sep 26, 2022

• fix bug in nep_cpu

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• add docstring in shuf_xyz

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• update with new NEP_CPU

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Commits on Sep 25, 2022

• Merge pull request #2 from Kick-H/master

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Commits on Aug 12, 2022

• Update io.py

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Commits on Aug 11, 2022

• fix input file to match GPUMD 3.4

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Commits on Jun 14, 2022

• add lammps interface

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Commits on Jun 10, 2022

• add mathjax to static

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Commits on Jun 2, 2022

• Update README.md

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• Create LICENSE

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Commits on May 31, 2022

• add error vs distance

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Commits on May 29, 2022

• add sklearn in doc requirements

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• Merge branch 'master' of github.com:bigd4/PyNEP

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• add examples

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