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deepmodeling / abacus-develop Public

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Fix: Fix UPF100 negative `lmax` handling#7221

Merged

mohanchen merged 7 commits intodeepmodeling:developdeepmodeling/abacus-develop:developfrom

sunliang98:fix_ppsunliang98/abacus-develop:fix_ppCopy head branch name to clipboard

Apr 9, 2026

Conversation Commits7 (7)Checks Files changed

Merged

Fix: Fix UPF100 negative `lmax` handling#7221
mohanchen merged 7 commits intodeepmodeling:developfrom
sunliang98:fix_pp

Commits

Commits on Apr 8, 2026

fix(upf100): normalize negative lmax when nbeta is zero
sunliang98
committed
Test: Add a test for UPF100 PP with LCAO 02_NAO_Gamma/scf_upf100
sunliang98
committed
Test: Update CASES_CPU.txt
sunliang98
committed
Format: Update the format of read_pp_upf100.cpp
sunliang98
committed
Update tests/02_NAO_Gamma/scf_upf100/INPUT

sunliang98
and
Copilot
authored
Update source/source_cell/read_pp_upf100.cpp

sunliang98
and
Copilot
authored
Test: Update the result.ref of scf_upf100 after turning on gamma_only
sunliang98
committed

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