Fix 1. `get_pchg` with nspin=4 and 2. `out_mul` with DFT+U and 3. `fix` updates in develop branch #5859

Merged

dyzheng merged 12 commits into

deepmodeling:stablefrom

Jan 14, 2025

Commits on Jan 14, 2025

Fix: get_pchg_lcao with nspin=4
dyzheng
committed
Fix: out_mul with DFT+U
dyzheng
committed
Enable the support of singular number of electrions in DeepKS orbital label (#5793)

Liu-RX
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dyzheng
committed
delete test print (#5795)

A-006
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dyzheng
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Refactor: update logic of init_chg (#5801)

YuLiu98
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dyzheng
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Fix: optimize lr_spectrum (#5805)

maki49
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dyzheng
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fix some warnings about esolver (#5807)

maki49
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dyzheng
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Fix the Segmentation fault caused by zero atom case under LCAO basis. (#5821)

sunliang98
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dyzheng
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add const in module_lr (#5817)

maki49
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dyzheng
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Fix: support negative value in parse_expression (#5826)

authored and
dyzheng
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Fix: dmin is replaced by dmax (#5829)

haozhihan
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dyzheng
committed
Fix a bug and a magic number in module_exx_symmetry (#5848)

maki49
authored and
dyzheng
committed