ABACUS-v2.2.1 : Hotfix for v2.2.0

Feature changed:

• deepks : allow reading embedding model by @wenfei-li in deepmodeling#822
• Feature: Add module surchem. by @Asuna981002 in deepmodeling#846

Bug fixed:

• Fix uninited rcutmax by @maki49 in deepmodeling#821
• Fix bug: the opended file 'data-H' is not closed by @pxlxingliang in deepmodeling#820
• Fix a delete in parallel_orbitals by @maki49 in deepmodeling#827
• Fix : attempt to fix search_radius error in 'unit' test by @wenfei-li in deepmodeling#825
• Fix: rewrite MD_dump when step=0 by @YuLiu98 in deepmodeling#824
• Fix: add .gitignore items for generated files in tests/deepks/*. by @caic99 in deepmodeling#829
• Fix: gint : removed obsolete codes by @wenfei-li in deepmodeling#831
• Build: fix sanitizer test logic. by @caic99 in deepmodeling#832
• Fix: deleted useless file, output right occupied band for soc case by @dyzheng in deepmodeling#826
• Build: Add libnpy, googletest in docker env. by @caic99 in deepmodeling#840
• Fix: potential array access overflow in gamma vl by @caic99 in deepmodeling#845
• Build: fix static analysis workflow logic. by @caic99 in deepmodeling#847
• Fix: misuse of '=' in assertion by @caic99 in deepmodeling#850
• Fix: variable not initialized in for-loop by @caic99 in deepmodeling#851
• Doc: Format markdown files. by @caic99 in deepmodeling#855
• docs: move developers.md to CONTRIBUTING.md. by @caic99 in deepmodeling#856
• Fix: update the default value of md_tfreq by @YuLiu98 in deepmodeling#857
• docs: fix path link to docs/ by @caic99 in deepmodeling#858
• Fix: modify documentation, comment, and HSE input by @wenfei-li in deepmodeling#859
• Fix: remove invalid warning in Pseudopot_upf::read_pseudo_upf201. by @sunliang98 in deepmodeling#862
• Fix: 1. only init wfc once for MD and relax; 2. reset PW_DIAG_THR every Ionic step. 3. 17 test cases reference updated by @dyzheng in deepmodeling#864
• Fix: 1, 2D-block allocation error. 2, not print charge density cube file if out_chg is 0 by @dyzheng in deepmodeling#868
• Fix: 1. update Makefile.system and Makefile.vars by @PeizeLin in #122
• Fix: Adjust bands output for DFT+DMFT by @Qx80610702 in #123
• Fix: 1. fix bug for 'dft_functional = hse' in LOOP_elec::solver() by @PeizeLin in #124
• Merge Makefile bugfix by @dyzheng in #133

Test updates:

• Test: update UT branches by @caic99 in deepmodeling#835
• Test: change testing target to merged reference by @caic99 in deepmodeling#838
• Test: add the unit test of parallel diagonalization by ELPA by @pxlxingliang in deepmodeling#839
• Test(pw): cg of HSolver with larger H matrices by @hongriTianqi in deepmodeling#863
• Test: rename CI step by @caic99 in deepmodeling#853
• CI: Enable static code analysis. by @caic99 in deepmodeling#854
• Build: update testing strategy by @caic99 in deepmodeling#852
• Test(pw): add UT of Charge::sum_band() by @hongriTianqi in deepmodeling#860
• Test(LCAO): add the UT of ELPA/SCALAPACK diagonalization by @pxlxingliang in deepmodeling#861

Refactors:

• Update esolver.h by @Qianruipku in deepmodeling#843
• Refactor: move Global.h dependency from header to cpp files, by @dyzheng in deepmodeling#842
• Merge: HSolver to develop, diagonalization for PW and LCAO has finished. by @dyzheng in deepmodeling#848

Full Changelog: v2.2.0...v2.2.1