perf(mta): GPU-resident metatomic force provider - #9

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HaoZeke wants to merge 13 commits into

Commits on Mar 15, 2026

feat(mta): add GPU-resident metatomic force provider
HaoZeke
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9e0923c
fix(mta-gpu): remove incorrect isDirectProvider return
HaoZeke
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e34a6f4
fix(mta-gpu): wire GPU MDModule into grompp MDP parsing
HaoZeke
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0323162
fix(mta-gpu): add MDP transform rules for GPU module keys
HaoZeke
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fbe56ce
fix(mta-gpu): include ishift.h for c_dBox constants in CUDA kernel
HaoZeke
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22a2e62
fix(mta-gpu): detach NL tensors before register_autograd_neighbors
HaoZeke
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ae9dfc0
fix(mta-gpu): coord sync, NL symmetrization, and unit conversion
HaoZeke
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3b63d64
fix(mta-gpu): add topology preprocessing and energy output registration
HaoZeke
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4e55ad7
fix(mta-gpu): stub signature, device assert, coord checksum, range registration
HaoZeke
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a9923e0
fix(mta-gpu): remove stale nlMode references from GPU path
HaoZeke
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df44926
chore(ci): try to run on a GPU
HaoZeke
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9f7215c
fix(mta-gpu): include device_information.h for DeviceInformation, fix range-loop warning
HaoZeke
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e015f15
chore(ci): try finding benchmarks better
HaoZeke
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df4f386