v3.7.1

CI

• Remove unused workflow by @caic99 #4512
• build docs only for main repo by @caic99 #4306

Fix

• Move Vxc output from after_scf to after_all_runners by @maki49 #4497
• Remove the dependency of write_dmr on globalV::NLOCAL by @pxlxingliang #4500
• Fix no STRU_ION_1 file output by @hongriTianqi #4506
• Fix init_Table_Spherical_Bessel with correct k & r mesh multiple by @jinzx10 #4516
• Fix the bug which SCF restart for unconverged cases by @WHUweiqingzhou #4538
• Fix compile failure of main.cpp by @Qianruipku #4638
• Fix MKL scalapack linking by @caic99 #4644
• Fix DeePKS MD/Relax/Cell-relax calculation convergence by @dyzheng #4575
• Fix oneAPI runtime error when build with libtorch by @caic99 #4613
• Fix esolver.cpp by @pxlxingliang #4612
• Fix misunderstanding absolute path as annotation by @Qianruipku #4629
• Fix missing head of running.log by @Qianruipku #4630
• Fix the memory problem in berryphase by @pxlxingliang #4631
• Fix wrong running_*.log by @Qianruipku #4648
• Fix MKL finding problem in pyabacus by @maki49 #4656
• Fix some minor security risks with ModuleESolver::init_esolver() by @PeizeLin #4590
• Fix some minor security risks with ModuleIO::read_wfc_nao by @PeizeLin #4558
• Address the atomicAdd error by @denghuilu #4234
• Fix cusolver error under multi-k situation by @dzzz2001 #4278
• Fix makefile cannot compile tests in module_pw by @Qianruipku #4270
• Fix orb_matrix file is not safely written/renamed by @kirk0830 #4299
• Fix the bug in dav gpu code and add more integrate test for GPU by @haozhihan #4265

Refactor

• Remove pdiagh pointer and redundant code by @Cstandardlib #4520
• Change nkstot_ibz and kvec_d_ibz from members into local variables by @maki49 #4515
• Remove some variables from LCAO_Matrix class by @WHUweiqingzhou #4519
• Remove BasedOnStyle: Microsoft from clang-format by @haozhihan #4522
• Remove the useless loc in veff by @pxlxingliang #4532
• Removal of ORB_table_phi by @jinzx10 #4503
• Remove check_structure() from UnitCell by @sunliang98 #4499
• Remove some members from LCAO_Matrix class by @WHUweiqingzhou #4546
• Replace the interface of out_dm by using DensityMatrix.DMK instead of loc.DM by @pxlxingliang #4509
• Remove initDiagh function in hsolver by @Cstandardlib #4527
• Fully refactored original obsolete lapack hsolver by @Critsium-xy #4581
• Separate Class diag_comm_info and Class const_nums by @haozhihan #4582
• Remove additional dependencies of parallel_reduce.h by @haozhihan #4585
• Remove Hloc, Hloc2, Sloc, Sloc2 in LCAO_Matrix by @dyzheng #4574
• Remove some variables from LCAO_Matrix class by @WHUweiqingzhou #4568
• Remove the useless variables and functions in unkOverlap_lcao by @pxlxingliang #4569
• Remove redundant Local_Orbital_Charge in class Veff and DeepKS by @PeizeLin #4572
• Use alicloud image sync by @caic99 #4567
• Fix the wrong type of ibz2bz by @maki49 #4577
• Login to use alicloud image sync by @caic99 #4573
• Fix get_S failed when smearing_method is gauss by @hongriTianqi #4571
• Correct the warning message about ntype by @pxlxingliang #4562
• Split the function into different functionalities by @A-006 #4566
• Remove module_device additional dependencies by @haozhihan #4579

• update version to 3.7.1 by @dyzheng in #4662

Full Changelog: v3.7.0...v3.7.1