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Recently, the NEP_CPU has released a breaking change related to the qNEP, the original API has been changed:

  1. Rename the NEP3 to NEP.
  2. Add the ewald.cpp and neighbor.cpp.

Linked Issue

Fix #6800

What's changed?

  • The NEP3 in esolver_nep.h has been renamed to NEP to match the update.
  • Update the related toolchain script.

Recently, the NEP_CPU has relesaed a breaking change related to the `qNEP`, the original API has been changed:
1. reaname the `NEP3` to `NEP`
2. add the `ewald.cpp` and `neighbor.cpp`.
@mohanchen mohanchen added the Refactor Refactor ABACUS codes label Dec 25, 2025
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LGTM, thanks for your help!

@mohanchen mohanchen merged commit 29f141d into deepmodeling:develop Dec 25, 2025
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@MoseyQAQ MoseyQAQ deleted the qnep branch December 25, 2025 02:29
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Compilation Error When Enabling NEP Calculation in ABACUS v3.9.0.21

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