Release v3.5.2 · abacusmodeling/abacus-develop

What's Changed

Accelerate: reduce unnecessary computation due to the calculation of the overlap matrix in the cg method by @haozhihan in deepmodeling#3556
Feature: enable restart charge density mixing during SCF by @WHUweiqingzhou in deepmodeling#3542
Feature: Add ENABLE_RAPIDJSON option to control the output of abacus.json by @pxlxingliang in deepmodeling#3519
Feature : printing band density by @wenfei-li in deepmodeling#3501
Feature: support segment split in kline mode in KPT file and out_band band output precision control, 8 as default by @kirk0830 in deepmodeling#3493
Feature: add python wrapper for math sphbes by @jieli-matrix in deepmodeling#3475
Build: add ccache to accelerate the testing process by @caic99 in deepmodeling#3509
Build: Improving CMake performance for finding LibXC and ELPA by @yizeyi18 in deepmodeling#3478
Feature: enable the computation of zeros of multiple spherical Bessel functions in one call by @jinzx10 in deepmodeling#3449

fix: bug in Autotest.sh when result.ref has no totaltimeref by @pxlxingliang in deepmodeling#3523
Fix : unit test of module_xc by @wenfei-li in deepmodeling#3524
Fix: omit small magnetic moments to avoid numerical instability by @hongriTianqi in deepmodeling#3530
Fix: fix multiple compiler warnings by @caic99 in deepmodeling#3515
Fix: print the default precision flag by @denghuilu in deepmodeling#3496
Fix: add blas support for FindLAPACK.cmake by @haozhihan in deepmodeling#3497
Fix: fix bug in mulliken charge calculation by @hongriTianqi in deepmodeling#3503
Fix: avoid infinite loop when meeting badbit or failbit in reading STRU by @WHUweiqingzhou in deepmodeling#3506
Fix: cuda build target by @caic99 in deepmodeling#3276
Build: fix compatibility issue against toolchain install by @yizeyi18 in deepmodeling#3540

Test: run INPUT.Default() in every process in InputParaTest by @WHUweiqingzhou in deepmodeling#3490
Test: more unittests for QO - arbitrary orbital selection by @kirk0830 in deepmodeling#3499
Test: Configure performance tests for math libraries by @jieli-matrix in deepmodeling#3511

Docs: to avoid the misunderstanding in docs by @WHUweiqingzhou in deepmodeling#3518
Docs: fix a missing depencency in conda build env by @caic99 in deepmodeling#3508
Docs: correct some docs about mp2 smearing method by @WHUweiqingzhou in deepmodeling#3533
Docs: add some docs for PR#3501 by @WHUweiqingzhou in deepmodeling#3537
Update input-main.md by @jingan-181 in deepmodeling#3551

Full Changelog: v3.5.1...v3.5.2