Release v3.6.5 · abacusmodeling/abacus-develop

What's Changed

Feature : set deepks_equiv as input variable by @wenfei-li in deepmodeling#4195
Feature: Input and output vector potential in tddft calculation by @ESROAMER in deepmodeling#4173
Feature: a better looking of SCF iteration information on screen by @kirk0830 in deepmodeling#4185
Feature : printing initial charge density by @wenfei-li in deepmodeling#4254

Fix: address the atomicAdd error by @denghuilu in deepmodeling#4234
Fix: replace cal_stress in GPU relax calculation，use NUM_STREAM in INPUT file and fix memory leak in force calculation by @A-006 in deepmodeling#4200
Fix: add one whitespaces between each column of scf stdout by @kirk0830 in deepmodeling#4252
Fix: fix the bug in dav gpu code and add more integrate test for GPU by @haozhihan in deepmodeling#4265
Fix: makefile cannot compile tests in module_pw by @Qianruipku in deepmodeling#4270
Fix: fix cusolver error under multi-k situation by @dzzz2001 in deepmodeling#4278
Fix: present orb_matrix file is not safely written/renamed by @kirk0830 in deepmodeling#4299

Perf: split code_gen.cpp to reduce compilation time by @dzzz2001 in deepmodeling#4210
Perf: optimize single-process performence of cusolver by @dzzz2001 in deepmodeling#4191
Perf: optimize single-process performence of cusolver by @dzzz2001 in deepmodeling#4191
Perf: Incorporate OpenMP in the force and rho computations on the GPU by @dzzz2001 in deepmodeling#4280
Perf: optimize psir_dot function in gint_rho_gpu.cu by @dzzz2001 in deepmodeling#4326

Refactor: Remove unused function Gint_Gamma::vl_grid_to_2D and related variables by @DylanWRh in deepmodeling#4229
Refactor: rename diago_blas to diago_scalapack by @haozhihan in deepmodeling#4233
Refactor: Modify class BaseMatrix by @DylanWRh in deepmodeling#4239
Refactor: remove all globalV in diago_david by @haozhihan in deepmodeling#4211
Refactor: simplified Parallel_2d interface by @jinzx10 in deepmodeling#4237
Refactor: Replace modify the functions form cu files to cpp files by @A-006 in deepmodeling#4245
Refactor: Encapsulation of K_point modules by @jwsyzy in deepmodeling#4240
Refactor LCAO force: merge gamma and k by @maki49 in deepmodeling#4263
Refactor: Remove Unused chg_extrap = dm INPUT Parameter Code by @AsTonyshment in deepmodeling#4285
Refactor: Remove redundant function and modify comments in the PW module by @yang2022i in deepmodeling#4271
Refactor: eliminate most use of LOWF instance in esolver - step 1 by @kirk0830 in deepmodeling#4273
Refactor Separate the coupled GPU task functions. by @A-006 in deepmodeling#4281
Refactor: Improve the parallel part of the K-point module by @jwsyzy in deepmodeling#4289
Refactor: delete GlobalV::CURRENT_SPIN in code by @dyzheng in deepmodeling#4301
Refactor: removal of GlobalC::UOT by @jinzx10 in deepmodeling#4322

Test: Modify the input file of examples/interface_wannier90 to run the Wannier90 interface correctly. by @jingan-181 in deepmodeling#4236
test: modify the script to read energy from running_wcf_xx.log in example/bsse by @pxlxingliang in deepmodeling#4259
CI: build docs only for main repo by @caic99 in deepmodeling#4306

Full Changelog: v3.6.4...v3.6.5