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Enable PEXSI in testing workflow and update reference (#7854)
Build Test
#676:
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Update the reference of PEXSI unittest
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#675:
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Update the reference of PEXSI unittest
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Update the reference of PEXSI unittest
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CI: Enable PEXSI in GNU workflows
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Build Test
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Re-implement DFT-D3 against the s-dftd3 reference
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Re-implement DFT-D3 against the s-dftd3 reference
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Refactor DFT+U: rename and de-static Plus_U members, step 3 (#7859)
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Re-implement DFT-D3 against the s-dftd3 reference
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Add a python script to test the code quality of ABACUS codes (#7843)
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Re-implement DFT-D3 against the s-dftd3 reference
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Docker: Move PEXSI installation from Dockerfile.intel to Dockerfile.g…
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CI: Enable PEXSI in GNU workflows
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Docker: Move PEXSI installation from Dockerfile.intel to Dockerfile.g…
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Docker: Move PEXSI installation from Dockerfile.intel to Dockerfile.gnu
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Docker: Move PEXSI installation from Dockerfile.intel to Dockerfile.gnu
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Docker: Move PEXSI installation from Dockerfile.intel to Dockerfile.gnu
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fix(gpu): avoid host-side FFT crash in LDOS output and wfc-read charg…
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Fix: calculate net force after symmetrization (#7846)
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#654:
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CMake: Decouple ELPA dependency from LCAO
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Re-implement DFT-D3 against the s-dftd3 reference
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