Release v3.3.1 (2023/07/28) · abacusmodeling/abacus-develop

What's Changed

added paw_atom class and test by @wenfei-li in deepmodeling#2731
added accumulate_rhoij by @wenfei-li in deepmodeling#2734
add energy output in lj/dp by @YuLiu98 in deepmodeling#2737
New method to dynamically change symmetry_prec during cell-relax by @maki49 in deepmodeling#2736
support reusing blacs_ctxt in Parallel_2D::set_desc by @maki49 in deepmodeling#2744
Add a output interface for hcontainer and a sparse matrix class for CSR io by @hongriTianqi in deepmodeling#2745
Add CSR file reader classes in module_io by @hongriTianqi in deepmodeling#2754

rename and privatize index mapping arrays in Parallel_2D; simplify deepks interfaces by @maki49 in deepmodeling#2697
Gaunt table implemented for module_nao by @jinzx10 in deepmodeling#2704
implementation of two-center integral table in module_nao by @jinzx10 in deepmodeling#2710
separate 2d-to-grid operation from Local_Orbital_Charge into an independent class DMgamma_2dtoGrid by @maki49 in deepmodeling#2748
input model rewritten by @grysgreat in deepmodeling#2671

charge extrapolation in sdft-md by @YuLiu98 in deepmodeling#2733
an assert in symmetry by @maki49 in deepmodeling#2720
bug when using scan with kpar > 1 by @Qianruipku in deepmodeling#2735
error in specific situations refers to 2208 by @dyzheng in deepmodeling#2742
update code for S(t+dt/2) by @lyb9812 in deepmodeling#2753
change R in LCAO_Hamilt::calculate_HR_exx_sparse(), to alleviate the output Hexx(R) errors for few k-points by @PeizeLin in deepmodeling#2749
DeePKS for nspin = 2 and gamma point by @wenfei-li in deepmodeling#2755
fix the atom sequence check in module_cell/read_atoms.cpp (issue #2721) by @kirk0830 in deepmodeling#2739

simplify compiling ucell info in UNIT tests by @hongriTianqi in deepmodeling#2747

fix dead links for vdw-d3 by @caic99 in deepmodeling#2741
add some details of UnitTest and Converge in Documentation by @WHUweiqingzhou in deepmodeling#2752

Full Changelog: v3.3.0...v3.3.1