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update unitcell of unchanged coordinates only if limits expanded#163

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lmiq merged 3 commits intomainfrom
selective_update_in_NonPeriodicCell
Feb 21, 2026
Merged

update unitcell of unchanged coordinates only if limits expanded#163
lmiq merged 3 commits intomainfrom
selective_update_in_NonPeriodicCell

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@lmiq lmiq commented Feb 21, 2026

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codecov bot commented Feb 21, 2026

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 98.90%. Comparing base (bdacfe8) to head (7954e80).
⚠️ Report is 4 commits behind head on main.

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #163      +/-   ##
==========================================
- Coverage   99.10%   98.90%   -0.21%     
==========================================
  Files          20       20              
  Lines        1346     1274      -72     
==========================================
- Hits         1334     1260      -74     
- Misses         12       14       +2     

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lmiq commented Feb 21, 2026

All 1794 tests pass. Here's a summary of everything removed:

File | What was removed -- | -- cross.jl:136–258 | _serial_pairwise_x_vs_sys!, _batch_x_vs_sys!, _parallel_pairwise_x_vs_sys!, two _pairwise! overloads for CellList, two single_particle_vs_list! overloads pairwise.jl:65–124 | Public pairwise!(f, x, sys::ParticleSystem1) method and its docstring precompile.jl | Two pairwise!(f, y, sys) precompile workload lines BasicForParticleSystem.jl | @testitem "cross_x_vs_sys" and @testitem "cross_x_vs_sys_nonperiodic_negative_coords" (~170 lines) two_sets.md | "Cross-interactions with a single cell list" section + benchmarking section examples.md | Single-cell-list cross-interaction paragraph and code blocks migrating.md | "New pairwise!(f, x, sys) method" section and table row reference

All 1794 tests pass. Here's a summary of everything removed:

File What was removed
cross.jl:136–258 _serial_pairwise_x_vs_sys!, _batch_x_vs_sys!, _parallel_pairwise_x_vs_sys!, two _pairwise! overloads for CellList, two single_particle_vs_list! overloads
pairwise.jl:65–124 Public pairwise!(f, x, sys::ParticleSystem1) method and its docstring
precompile.jl Two pairwise!(f, y, sys) precompile workload lines
BasicForParticleSystem.jl @testitem "cross_x_vs_sys" and @testitem "cross_x_vs_sys_nonperiodic_negative_coords" (~170 lines)
two_sets.md "Cross-interactions with a single cell list" section + benchmarking section
examples.md Single-cell-list cross-interaction paragraph and code blocks
migrating.md "New pairwise!(f, x, sys) method" section and table row reference

@lmiq lmiq merged commit 3a771b8 into main Feb 21, 2026
19 of 20 checks passed
@lmiq lmiq deleted the selective_update_in_NonPeriodicCell branch February 21, 2026 14:08
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