Release v3.8.2 · deepmodeling/abacus-develop

Feature

Feature: LR-TDDFT for open-shell systems by @maki49 in #5312
Feature: Porting abacus to DSP hardware (mtblas part) by @Critsium-xy in #5301
Feature: MPI available on ABACUS DSP version by @Critsium-xy in #5351
Feature: make SCF converges only if drho and dene is smaller than threshold by @WHUweiqingzhou in #5357
Feature: make init stochastic WF support GPU by @Qianruipku in #5365
Feature: move scf_ene_thr before mix_rho by @WHUweiqingzhou in #5375
Feature: change the default value of ecutwfc based on basis_type by @WHUweiqingzhou in #5390
Feature: Add Cell for pyabacus by @jieli-matrix in #5247
Unify the output of BFGS, CG, and FIRE relaxation method by @sunliang98 in #5374

Refactor: replace sto_hchi by HamiltSdftPW::hPsi by @Qianruipku in #5298
Refactor: remove read_rho and make read_cube independent of esolver_type by @maki49 in #5323
Refactor: Organize code structure to improve maintainability in pyabacus by @a1henu in #5346
Refactor: move print_rhofft and print_wfcfft to ModuleIO by @YuLiu98 in #5358
Refactor IO cube (Useful Information: excellent example for discussions and actions among ABACUS developers) by @maki49 in #5362
Remove DiagH class in hsolver by @Cstandardlib in #5307
Remove diagh.h in module_hsolver by @Cstandardlib in #5332
Remove install_dsp.sh by @Critsium-xy in #5337

Fix: cannot compile without OPENMP by @Qianruipku in #5316
Fix: fix nspin=4 error when device=gpu by @dzzz2001 in #5319
Fix: PR conflicts of #5298 and #5312 by @Qianruipku in #5329
Fix::Change the gamma_only_lcao when nspin=4 by @A-006 in #5322
Fix: boost Davidson by removal of useless scc by @Cstandardlib in #4874
Fix: do not bcast my_rank by @YuLiu98 in #5339
Fix: Fix Consts memory leak by directly removing custome consts by @Critsium-xy in #5344
Fix: make EXX symmetry consistent with the fixed irreducible k-points by @maki49 in #5348
Change the default setting for symmetry when berry_phase=1 by @ErjieWu in #5349
Add number of threads output in stdout by @QuantumMisaka in #5281
Fix: make the symmetry condition in RPA consistent with EXX by @maki49 in #5355
Fix: force and stress calculation with noncollinear-spin or SOC for PW code by @dyzheng in #5377
Fix: widen the range of support on STRU file of Molden interface by @kirk0830 in #5388
Fix: disable four rarely used functionals which involves the laplacian of rho by @kirk0830 in #5392

Full Changelog: v3.8.1...v3.8.2