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feat(pt_expt): DPA4 descriptor and fitting (training + export)
Test Python
#15662:
Pull request
#5522
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perf(dpa4): opt so3grid
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Test Python
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[WIP] Add fix cboamd for cavity Born-Oppenheimer MD
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[WIP] Add fix cboamd for cavity Born-Oppenheimer MD
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fix(pt,dpmodel): drop out-of-rcut neighbors in _format_nlist pad branch
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ci: speed up slow test workflows
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refactor(api_cc): load backends as plugins
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docs(skills): consolidate training skill disclosure
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feat(lmp): provide dE/dfparam to LAMMPS via finite differences
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docs(skills): consolidate training skill disclosure
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fix(pt,dpmodel): drop out-of-rcut neighbors in _format_nlist pad branch
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#15647:
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fix(pt): sort nlist for compressed se_e2_a in forward_lower
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fix(pt): sort nlist for compressed se_e2_a in forward_lower
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refactor(jax): auto-convert dpmodel modules
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fix(pt): sort nlist for compressed se_e2_a in forward_lower
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refactor(tests): auto-convert array-api-strict modules
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#15642:
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refactor(jax): auto-convert dpmodel modules
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