v3.0.4

What's Changed

Features

• Add GPU Baseline for ABACUS ! by @denghuilu in #1535
• Add out_dm1 which prints dm_r in sparse format by @wenfei-li in #1541 and #1577
• Total magnetization can be constrained by nupdown by @dyzheng in #1549

Compilation

• Make ELPA optional by @xinyangd in #1533
• Add elpa_openmp by @Alcanderian in #1556

Refactor

• Removed globalc::chr & input_update by @wenfei-li in #1527
• Add H_TDDFT_pw class for time dependent electronic field by @dyzheng in #1562

Code cleanup & Test coverage

• Remove unused codes in src_pdiag by @hongriTianqi in #1545
• Add DeePKS tests to coverage test by @caic99 in #1537
• Remove obsolete code & add tests by @wenfei-li in #1538, #1539, #1544, #1550， #1561, #1563, #1567
• Remove the useless codes in symmetry by @pxlxingliang in #1548
• Deleted used code for spectrum and old HSolver by @dyzheng in #1564

Bug fix

• Fix bug about rpa interface -out_band-occ-num by @Srlive1201 in #1542
• Add libxc interface for stress calculation in nspin=1 case by @ouqi0711 in #1553
• Fix two misimplementation in nscf calculation by @hongriTianqi in #1551
• Use fabs instead of abs on doubles in module_base/opt_DCsrch.cpp by @maki49 in #1568
• Fixed OperatorDFTU for multi-k and NSPIN=2 by @dyzheng in #1570
• Initialize has_so to false when reading blps pseudopotential by @xinyangd in #1572

Documentation

• Revise install configuring manual by @caic99 in #1531
• Update the link in deepks.md by @ouqi0711 in #1558
• Fix typos in input parameters by @caic99 in #1557

New Contributors

• @Alcanderian made their first contribution in deepmodeling#1556

Full Changelog: v3.0.3...v3.0.4