Release v3.6.3 · deepmodeling/abacus-develop

What's Changed

Feature : descriptors for equivariant DeePKS by @wenfei-li in #3894
Feature : reading and writing of h(r) and dm(r) in npz format by @wenfei-li in #4066
Feature: write local-XC and EXX part of band(orbital) energy along with the XC matrix by @maki49 in #4013
Feature: add device error check for functions within device.cpp by @denghuilu in #4106
Improve output of H and S matrices: output matrices when the self-consistent iteration steps reach scf_nmax, even if the charge density doesn't converge. by @LiuXiaohui123321 in #4147

Fix: use std::abs() instead of abs() by @WHUweiqingzhou in #4076
Add a warning quit when parameters do not match in read_wfc_nao.cpp by @AsTonyshment in #4087
Fix: remove non-used pointer in Gint by @maki49 in #4009
Fix: dcu cmake compilation error by @denghuilu in #4097
Fix: add some hint about error by @WHUweiqingzhou in #4100
Fix: solve the convergence problem of E value in dav_subspace method by @haozhihan in #4052
Fix: bug of plot-tools for nspin=2 and shift=True case by @1041176461 in #4116
Fix: No warning is given if KPT is ill set by @Luc1anoo in #4134

Refactor istate_charge.cpp to reduce dependence on other modules by @AsTonyshment in #4086
Refactor: optimized cubic spline by @jinzx10 in #4081
Replace “lm->paraV” with “paraV” to simpifier parameters by @A-006 in #4110

Test: increase the time limit of CI test by @WHUweiqingzhou in #4098
fix: pin the version of intel mpi to 2021.11 by @pxlxingliang in #4105
CI: modify CUDA test by @dzzz2001 in #4083
Build: pin Intel MPI version to avoid performance degradation by @caic99 in #4065
CI: update runner config by @caic99 in #4088
CI: build images with tags on self-hosted runner by @caic99 in #4089
CI: fix the incorrect argument order in Autotest.sh by @dzzz2001 in #4118