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deepmodeling / abacus-develop Public

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Bug: Fix convergence problem of spin-polarized metaGGA calculation for nspin=2#3328

Merged

WHUweiqingzhou merged 4 commits intodeepmodeling:developdeepmodeling/abacus-develop:developfrom

WHUweiqingzhou:fix_metagga_nspin2WHUweiqingzhou/abacus-develop:fix_metagga_nspin2Copy head branch name to clipboard

Dec 12, 2023

Conversation Commits4 (4)Checks Files changed

Merged

Bug: Fix convergence problem of spin-polarized metaGGA calculation for nspin=2#3328
WHUweiqingzhou merged 4 commits intodeepmodeling:developfrom
WHUweiqingzhou:fix_metagga_nspin2

Commits

Commits on Dec 12, 2023

fix set_zero in elecstate_lcao
WHUweiqingzhou
committed
fix possible memory leak of kin in mix_rho()
WHUweiqingzhou
committed
refactor set_mixing & mix_reset
WHUweiqingzhou
committed
Merge branch 'develop' into fix_metagga_nspin2
kirk0830
authored

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