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fix(dft+u): stabilize UOM mixing and frozen-occupation potential updates
Agent Governance
#1479:
Pull request
#7882
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16s
liu-687:fix/dftu-uom-mixing-stability
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Feat: add PPCG solver for PW diagonalization
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Initial implementation of a density-functional perturbation theory code using a plane-wave basis set
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test(base): expand source_base unit-test coverage
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Refactor DeltaSpin step 2: add Tests and refactor
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Initial implementation of a density-functional perturbation theory code using a plane-wave basis set
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Reject zero interpolation counts in line-mode KPOINTS
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Fix static PyABACUS base wrapper calls
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Initial implementation of a density-functional perturbation theory code using a plane-wave basis set
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DFT+U refactor, step 6
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Fix Tensor::inner_most_ptr bounds checks
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fix(dft+u): stabilize UOM mixing and frozen-occupation potential updates
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#1467:
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DFT+U refactor, step 6
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Docs: add dav_subspace to the PW GPU solver list
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#1465:
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Critsium-xy:docs/pw-gpu-dav-subspace-7775
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fix(dft+u): stabilize UOM mixing and frozen-occupation potential updates
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DFT+U refactor, step 6
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fix(dft+u): stabilize UOM mixing and frozen-occupation potential updates
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fix(dft+u): stabilize UOM mixing and frozen-occupation potential updates
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#1461:
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test(base): expand source_base unit-test coverage
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Parallel MD
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test(base): expand source_base unit-test coverage
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Refactor DeltaSpin step 2: add Tests and refactor
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DFT+U refactor, step 6
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Initial implementation of a density-functional perturbation theory code using a plane-wave basis set
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