Release v3.5.2 · deepmodeling/abacus-develop

What's Changed

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

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

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

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