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Feat: add PPCG solver for PW diagonalization
CUDA Test
#10080:
Pull request
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CUDA Test
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fix(gpu): avoid host-side FFT crash in LDOS output and wfc-read charge density
CUDA Test
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Feat: add PPCG solver for PW diagonalization
CUDA Test
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Fix: Correct PW KPAR/BNDPAR occupations and distributed output
CUDA Test
#10076:
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39m 37s
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Feat: add PPCG solver for PW diagonalization
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Feat: add PPCG solver for PW diagonalization
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Feat: add PPCG solver for PW diagonalization
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Fix: Correct PW KPAR/BNDPAR occupations and distributed output
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Fix: Correct PW KPAR/BNDPAR occupations and distributed output
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Fix: Correct PW KPAR/BNDPAR occupations and distributed output
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Fix: Correct PW KPAR/BNDPAR occupations and distributed output
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CMake: Decouple ELPA dependency from LCAO
CUDA Test
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Add a python script to test the code quality of ABACUS codes
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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: simplify Mixing DM
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Re-implement DFT-D3 against the s-dftd3 reference
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Fix: calculate net force after symmetrization
CUDA Test
#10062:
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44m 37s
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Fix: Correct PW KPAR/BNDPAR occupations and distributed output
CUDA Test
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Re-implement DFT-D3 against the s-dftd3 reference
CUDA Test
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vdW-D4: Switch to smooth cutoff
CUDA Test
#10059:
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41m 34s
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CMake: Decouple ELPA dependency from LCAO
CUDA Test
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43m 10s
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vdW-D4: Switch to smooth cutoff
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