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deepmodeling
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abacus-develop
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Re-implement DFT-D3 against the s-dftd3 reference
- #7830
#7830
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Growl1234
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deepmodeling:develop
deepmodeling/abacus-develop:develop
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Re-implement DFT-D3 against the s-dftd3 reference
#7830
Growl1234
wants to merge 5 commits into
deepmodeling:develop
deepmodeling/abacus-develop:develop
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Growl1234:dftd3
Growl1234/abacus-develop:dftd3
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Commits on Aug 15, 2026
vdW-D4: Switch to smooth cutoff
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dfc9437
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Add input parameters
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346dbfe
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Check smooth width and abort when it's not proper
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Commits on Aug 16, 2026
Re-implement DFT-D3 against the s-dftd3 reference
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8b7c887
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Refactor vdW XC name normalization (consistent with what libdftd4 does)
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b997877
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