{"release":{"tag":{"name":"v3.8.4","path":"/abacus_dft/abacus-develop/tags/v3.8.4","tree_path":"/abacus_dft/abacus-develop/tree/v3.8.4","message":"","commit":{"id":"b377902255d04f934ff3a5580e144d54eb8e52b5","short_id":"b377902","title":"Update version.h (#5660)","title_markdown":"Update version.h (#5660)","description":"","description_markdown":"","message":"Update version.h (#5660)\n\n","message_markdown":"Update version.h (#5660)","detail_path":"/abacus_dft/abacus-develop/commit/b377902255d04f934ff3a5580e144d54eb8e52b5","commits_path":"/abacus_dft/abacus-develop/commits/b377902255d04f934ff3a5580e144d54eb8e52b5","tree_path":"/abacus_dft/abacus-develop/tree/b377902255d04f934ff3a5580e144d54eb8e52b5","author":{"name":"wqzhou","email":"33364058+WHUweiqingzhou@users.noreply.github.com","username":null,"user_path":null,"enterprise_user_path":null,"image_path":"no_portrait.png#wqzhou-","is_gitee_user":false,"is_enterprise_user":null,"widget_url":null},"committer":{"name":"GitHub GPG Bot","email":"noreply@github.com","username":"github-bot","user_path":"/github-bot","enterprise_user_path":null,"image_path":"https://foruda.gitee.com/avatar/1677201096080835335/10181580_github-bot_1639517195.png!avatar30","is_gitee_user":true,"is_enterprise_user":null,"widget_url":""},"authored_date":"2024-12-02T14:07:13+08:00","committed_date":"2024-12-02T14:07:13+08:00","signature":null,"build_state":null},"archive_path":"/abacus_dft/abacus-develop/repository/archive/v3.8.4","signature":null},"operating":{"edit":false,"download":true,"destroy":false,"enterprise_forbid_zip":false},"release":{"title":"v3.8.4","path":"/abacus_dft/abacus-develop/releases/tag/v3.8.4","tag_path":"/abacus_dft/abacus-develop/tree/v3.8.4","project_id":21754012,"created_at":"2024-12-11T16:09:32+08:00","is_prerelease":false,"description":"## What's Changed\r\n\r\n### Refactor\r\n* Feature: set relax_nmax=0 to enable dry run by @YuLiu98 in https://github.com/deepmodeling/abacus-develop/pull/5595\r\n* Feature: enable get_s for nspin=4 by @YuLiu98 in https://github.com/deepmodeling/abacus-develop/pull/5614\r\n* Feature: output mat of \u003Cphi|r|phi\u003E with get_S by @dyzheng in https://github.com/deepmodeling/abacus-develop/pull/5611\r\n* add RDMFT(Reduced Density Matrix Functional Theory) code （Useful Information: for those who what to contribute codes to ABACUS, this is a good example) by @JGHan7 in https://github.com/deepmodeling/abacus-develop/pull/5325\r\n* Implement a new BFGS optimizer, used for geometry relaxation by @19hello in https://github.com/deepmodeling/abacus-develop/pull/5467\r\n\r\n### Fix\r\n* Fix: Fix the warning triggered in error of `SCAN_END`. by @sunliang98 in https://github.com/deepmodeling/abacus-develop/pull/5576\r\n* Fix: EXX suports restart scf from HexxR.csr produced by `out_chg` by @maki49 in https://github.com/deepmodeling/abacus-develop/pull/5586\r\n* Fix format issues in online manual  by @xuan112358 in https://github.com/deepmodeling/abacus-develop/pull/5588\r\n* fix stuck in out_chg by @Qianruipku in https://github.com/deepmodeling/abacus-develop/pull/5603\r\n* Fix wrong nscf energy of sDFT by @Qianruipku in https://github.com/deepmodeling/abacus-develop/pull/5618\r\n* Fix: symmetry prec mismatch between real and reciprocal space lattice by @dyzheng in https://github.com/deepmodeling/abacus-develop/pull/5623\r\n* Fix low efficiency of stress_kin in DCU by @Qianruipku in https://github.com/deepmodeling/abacus-develop/pull/5636\r\n* Fix a segfault in LR-TDDFT when nspin=1 by @maki49 in https://github.com/deepmodeling/abacus-develop/pull/5652\r\n\r\n### Test\r\n* Test: Fix tests to work without MPI by @Cstandardlib in https://github.com/deepmodeling/abacus-develop/pull/5631\r\n* Test: check if abacus end normally in CI test by @pxlxingliang in https://github.com/deepmodeling/abacus-develop/pull/5634\r\n\r\n### Doc\r\n* docs: update SR docs by @YuLiu98 in https://github.com/deepmodeling/abacus-develop/pull/5621\r\n\r\n### Refactor\r\n* Refactor: remove `wf` from `esolver` by @haozhihan in https://github.com/deepmodeling/abacus-develop/pull/5567\r\n* Refactor: remove some unused variables in module_gint by @dzzz2001 in https://github.com/deepmodeling/abacus-develop/pull/5568\r\n* Update elecstate.cpp by @mohanchen in https://github.com/deepmodeling/abacus-develop/pull/5579\r\n* Refactor: remove GlobalC::ucell in esolver by @YuLiu98 in https://github.com/deepmodeling/abacus-develop/pull/5569\r\n* Update LCAO_hamilt.hpp by @mohanchen in https://github.com/deepmodeling/abacus-develop/pull/5580\r\n* Update overlap_new.cpp by @mohanchen in https://github.com/deepmodeling/abacus-develop/pull/5581\r\n* Update operator_lcao.h by @mohanchen in https://github.com/deepmodeling/abacus-develop/pull/5584\r\n* Refactor: move tmp charge density output to esolver_ks by @YuLiu98 in https://github.com/deepmodeling/abacus-develop/pull/5592\r\n* Refactor: remove template for get_S by @YuLiu98 in https://github.com/deepmodeling/abacus-develop/pull/5593\r\n* update the DCU compile by @A-006 in https://github.com/deepmodeling/abacus-develop/pull/5563\r\n* Refactor: split sum_stoband to sum_stoband and cal_storho in sDFT by @Qianruipku in https://github.com/deepmodeling/abacus-develop/pull/5600\r\n* Grid batching by adapted cut-plane by @jinzx10 in https://github.com/deepmodeling/abacus-develop/pull/5599\r\n* Refactor: move psiinit file to hsolver folder by @haozhihan in https://github.com/deepmodeling/abacus-develop/pull/5601\r\n* Refactor: Remove `cal_ux` from UnitCell. by @sunliang98 in https://github.com/deepmodeling/abacus-develop/pull/5608\r\n* Refactor: move wf_atomic and wavefunc files by @haozhihan in https://github.com/deepmodeling/abacus-develop/pull/5613\r\n* Refactor:Remove the dependency of the Psi in the FFT module by @A-006 in https://github.com/deepmodeling/abacus-develop/pull/5564\r\n* Refactor: remove #include hsolver.h by @haozhihan in https://github.com/deepmodeling/abacus-develop/pull/5609\r\n* refactor: modify the default return value of warning quit to 1 by @pxlxingliang in https://github.com/deepmodeling/abacus-develop/pull/5556\r\n* Refactor: remove GlocalC::ucell in elecstate_energy_terms.cpp by @YuLiu98 in https://github.com/deepmodeling/abacus-develop/pull/5630\r\n* Refactor:Remove GlobalC::ucell in module_cell by @A-006 in https://github.com/deepmodeling/abacus-develop/pull/5626\r\n* Refactor : Remove GlobalC::ppcell by @Qianruipku in https://github.com/deepmodeling/abacus-develop/pull/5622\r\n* Update rdmft.h by @mohanchen in https://github.com/deepmodeling/abacus-develop/pull/5628\r\n* Update rdmft_tools.cpp by @mohanchen in https://github.com/deepmodeling/abacus-develop/pull/5629\r\n* Update esolver_ks_lcao.cpp by @mohanchen in https://github.com/deepmodeling/abacus-develop/pull/5632\r\n* Refactor: Move `if (PARAM.inp.nspin == 4)` into `cal_ux(ucell)`. by @sunliang98 in https://github.com/deepmodeling/abacus-develop/pull/5637\r\n* Refactor:Remove GlobalC::ucell in module_lcaodft by @A-006 in https://github.com/deepmodeling/abacus-develop/pull/5649\r\n* Refactor:Remove GlobalC::ucell in the module_surchem by @A-006 in https://github.com/deepmodeling/abacus-develop/pull/5641\r\n* Refactor: Remove bpcg dependency on Psi and Hamilt by @Cstandardlib in https://github.com/deepmodeling/abacus-develop/pull/5643\r\n* Refactor: wavefunc.cpp  by @haozhihan in https://github.com/deepmodeling/abacus-develop/pull/5646\r\n* Update elecstate_pw.h by @mohanchen in https://github.com/deepmodeling/abacus-develop/pull/5651\r\n* Refactor: format wf_atomic files by @haozhihan in https://github.com/deepmodeling/abacus-develop/pull/5653\r\n* Refactor:Remove GlobalC::ucell in module_dftu by @A-006 in https://github.com/deepmodeling/abacus-develop/pull/5655\r\n\r\n## New Contributors\r\n* @JGHan7 made their first contribution in https://github.com/deepmodeling/abacus-develop/pull/5325\r\n* @19hello made their first contribution in https://github.com/deepmodeling/abacus-develop/pull/5467\r\n\r\n**Full Changelog**: https://github.com/deepmodeling/abacus-develop/compare/v3.8.3...v3.8.4","author":{"name":"linpeize","username":"linpeize","path":"/linpeize","avatar_url":"no_portrait.png#linpeize-linpeize"},"attach_files":[],"zip_download_url":"/abacus_dft/abacus-develop/releases/tag/v3.8.4.zip","tar_download_url":"/abacus_dft/abacus-develop/releases/tag/v3.8.4.tar.gz"}}}