Parallel MD - #7812

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19hello wants to merge 18 commits into

deepmodeling:developfrom

19hello:pr/mdcell-runtime

Commits on Aug 30, 2026

feat: enable MDCell runtime workflows
Fei Yang
committed
261d678
Fix MDCell force output and default RNG seeding
Fei Yang
committed
d4d8c65
Add MDCell output controls
Fei Yang
committed
a5b2fa0
Move MDCell force logging to IO
Fei Yang
committed
7b2887e
Update random MD references
Fei Yang
committed
0a00e90
Clean up MDCell runtime state
Fei Yang
committed
43f83b2
Avoid redundant MDCell force storage
Fei Yang
committed
0dcbaf4
Fix MD test velocity setup
Fei Yang
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3ef50e2
Update Langevin MD test references
Fei Yang
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c5cff08
Optimize MDCell migration output
Fei Yang
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17c9547
Fix rebase integration and parameter metadata
Fei Yang
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0a7bbb8
Localize MDCell ghost force communication
Fei Yang
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ef66425
Add reusable MDCell neighbor skin
Fei Yang
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57727e2
Preserve legacy velocity initialization for MD fallback
Fei Yang
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b128302
Simplify MDCell helper functions
Fei Yang
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49fbc5b
Rerun abacuslite MPI check
Fei Yang
committed
b7552ee
Remove legacy UnitCell velocity initialization
Fei Yang
committed
d00f3af
Remove unused UnitCell MD helpers
Fei Yang
committed
1b09cab