All pull requests

Pull requests

• test(ipi): check socket energy force and virial parity

  Docsi-PIPython
  #6055·Zhang-pchao opened Oct 6, 2026·

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  2

• fix(lammps): register built-in KOKKOS styles

  LAMMPS
  #6054·Zhang-pchao opened Oct 6, 2026·

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  1

• fix(ipi): validate initialization and atom-count framing

  Docsi-PI
  #6053·Zhang-pchao opened Oct 6, 2026·

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  2

• fix(pt): omit absent charge-spin inputs for legacy scripted models

  Python
  #6052·Zhang-pchao opened Oct 6, 2026·

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  2

• fix(build): honor disabled TensorFlow for native interfaces

  Python
  #6051·Zhang-pchao opened Oct 6, 2026·

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  1

• fix(pt): support PyTorch 2.14 C++20 builds

  OP
  #6049·njzjz-bot opened Oct 6, 2026Contributor·

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  1

  5

• docs(pt): sync DPA4 compile compatibility docs

  DocsPython
  #6046·jasperdingg opened Oct 5, 2026·

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  1

  1

• feat(bridging): analytical short-range bridging for DPA4 and DPA4C

  DocsExamplesLAMMPSOPPython
  #6045·OutisLi opened Oct 5, 2026Collaborator·

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  16

• build(pt): reduce the CUDA compile time of the PyTorch operators

  DocsOPPython
  #6044·OutisLi opened Oct 4, 2026Collaborator·

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  3

• fix(pt): stabilize full-batch fitting GEMM reductions

  DocsOPPython
  #6043·njzjz-bot opened Oct 2, 2026Contributor·

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  3

• perf(lmp): build DPA4 edge topology on device

  C++
  #6042·SchrodingersCattt opened Oct 2, 2026Contributor·

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  1

  9

• fix(pt_expt): preserve numb_dos for exported DOS models

  Python
  #6041·Arthur031221 opened Oct 1, 2026·

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  1

  1

• Rewrite of int->int function

  OP
  #6040·davis-matthew opened Oct 1, 2026·

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  1

• perf(pt_expt): batch the Hessian-vector products on the graph route

  DocsPython
  #6035·iProzd opened Sep 21, 2026Member·

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  33

• Refuse spin atoms on pair_style deepmd/kk at init_style

  LAMMPS
  #6033·shaneraphel opened Sep 18, 2026·

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  1

  7

• feat(pt-expt): add DPA4C-LR model with non-periodic LES/SOG long-rang…

  DocsPython
  #6031·YuzhiLiu-ai opened Sep 17, 2026Collaborator·

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  20

• ci: cache generated C++ model fixtures

  #6030·njzjz-bot opened Sep 16, 2026Contributor·

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  7

• fix(pt-expt): correct aparam reshape in graph mode

  Python
  #6028·MoseyQAQ opened Sep 15, 2026·

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  6

• fix(pt): fall back to single-rank .pt2 when the optional with-comm artifact export fails

  Python
  #6027·Fillianore opened Sep 15, 2026·

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  5

• ci: cache C++ builds and LAMMPS source

  #6026·njzjz-bot opened Sep 14, 2026Contributor·

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  7

• feat: run Uni-Mol's pretraining objective on a DPA4 backbone

  DocsExamplesPython
  #6025·iProzd opened Sep 14, 2026Member·

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  44

• feat(lammps): support device-side model deviation with Kokkos

  C++CDocsLAMMPSPython
  #6023·wankiwi opened Sep 14, 2026·

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  13

• fix(lammps): register native-spin host pair style in plugin

  LAMMPS
  #6012·LOGO127 opened Sep 8, 2026Contributor·

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  5

• fix(dpmodel): map DPA4 charge-spin conditions to ragged frames

  Python
  #6008·LOGO127 opened Sep 5, 2026Contributor·

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  1

  2

• fix(dpmodel): handle zero-node DPA4C spin graphs

  Python
  #6007·LOGO127 opened Sep 5, 2026Contributor·

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  1

  1