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Add AtomPack default query path and half-domain neighbor prototype#3

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hhb2006 merged 2 commits into
hhb2006:final-projectfrom
Yanglijf:final-project
Jun 6, 2026
Merged

Add AtomPack default query path and half-domain neighbor prototype#3
hhb2006 merged 2 commits into
hhb2006:final-projectfrom
Yanglijf:final-project

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@Yanglijf Yanglijf commented Jun 6, 2026

Summary

  • switched Grid_Driver::Find_atom() to the AtomPack query path
  • added AtomPackOnly / AtomPackAndLegacy build modes
  • added build_neighbor_pairs_14() half-domain prototype
  • kept legacy FAtom path as regression baseline
  • expanded atom_pack / grid / atom_arrange regression tests

Tests

  • MODULE_CELL_NEIGHBOR_sltk_grid
  • MODULE_CELL_NEIGHBOR_sltk_atom_arrange
  • MODULE_CELL_NEIGHBOR_atom_pack
  • MODULE_CELL_NEIGHBOR_mpi_domain
  • MODULE_CELL_NEIGHBOR_mpi_neighbor_proto

@hhb2006 hhb2006 merged commit ff3db31 into hhb2006:final-project Jun 6, 2026
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2 participants