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Add native periodic SCC-DFTB2/DFTB3 support
Build Test
#18319:
Pull request
#8035
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19m 8s
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Add native periodic SCC-DFTB2/DFTB3 support
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#18318:
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fix LCAO EXX issue and bugs, refactor module_hs
Build Test
#18317:
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#8033
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19m 32s
mohanchen:2026-09-26-2
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Docs: Generate input reference in CI
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Toolchain: Remove OpenBLAS-based architecture detection (#7971)
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Move HSolverPW_SDFT into module_stodft as StoHSolverPW; rename Hamilt…
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Feature(pw): batched FFTs, small ecutexx grid and band chunking for E…
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Fix: split LibXC GGA threshold masks for vrho and vsigma following QE…
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Toolchain: Remove OpenBLAS-based architecture detection
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Feature(pw): batched FFTs, small ecutexx grid and band chunking for EXX on CPU and GPU
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Fix: split LibXC GGA threshold masks for vrho and vsigma following QE convention
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Fix(pw): release EXX potential buffers on all exit paths (#8022) (#8037)
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Fix(base,ri): release Sphbes and RPA helpers on exceptions (#8038)
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Move HSolverPW_SDFT into module_stodft as StoHSolverPW; rename HamiltSdftPW to StoHamiltPW
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#18306:
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fix LCAO EXX issue and bugs, refactor module_hs
Build Test
#18305:
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19m 46s
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Add native periodic SCC-DFTB2/DFTB3 support
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#18304:
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Move HSolverPW_SDFT into module_stodft as StoHSolverPW; rename HamiltSdftPW to StoHamiltPW
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#18303:
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style: fix two wrong @file tags and convert leading tab indentation to spaces
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style: fix two wrong @file tags and convert leading tab indentation to spaces
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Add native periodic SCC-DFTB2/DFTB3 support
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fix LCAO EXX issue and bugs, refactor module_hs
Build Test
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Add native periodic SCC-DFTB2/DFTB3 support
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Add native periodic SCC-DFTB2/DFTB3 support
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Add native periodic SCC-DFTB2/DFTB3 support
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Add native periodic SCC-DFTB2/DFTB3 support
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