{"release":{"tag":{"name":"v3.6.3","path":"/deepmodeling/abacus-develop/tags/v3.6.3","tree_path":"/deepmodeling/abacus-develop/tree/v3.6.3","message":"","commit":{"id":"922db4641b1d39d44430b7e840fe014b7cdd668a","short_id":"922db46","title":"version update: v3.6.3 (#4142)","title_markdown":"version update: v3.6.3 (#4142)","description":"\nCo-authored-by: kirk0830 \u003C67682086+kirk0830@users.noreply.github.com\u003E","description_markdown":"Co-authored-by: kirk0830 ","message":"version update: v3.6.3 (#4142)\n\nCo-authored-by: kirk0830 \u003C67682086+kirk0830@users.noreply.github.com\u003E","message_markdown":"version update: v3.6.3 (#4142)\nCo-authored-by: kirk0830 ","detail_path":"/deepmodeling/abacus-develop/commit/922db4641b1d39d44430b7e840fe014b7cdd668a","commits_path":"/deepmodeling/abacus-develop/commits/922db4641b1d39d44430b7e840fe014b7cdd668a","tree_path":"/deepmodeling/abacus-develop/tree/922db4641b1d39d44430b7e840fe014b7cdd668a","author":{"name":"jinzx10","email":"jzx016@hotmail.com","username":null,"user_path":null,"enterprise_user_path":null,"image_path":"no_portrait.png#jinzx10-","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":"2024-05-11T11:15:27+08:00","committed_date":"2024-05-11T11:15:27+08:00","signature":null,"build_state":null},"archive_path":"/deepmodeling/abacus-develop/repository/archive/v3.6.3","signature":null},"operating":{"edit":false,"download":true,"destroy":false,"enterprise_forbid_zip":false},"release":{"title":"v3.6.3","path":"/deepmodeling/abacus-develop/releases/tag/v3.6.3","tag_path":"/deepmodeling/abacus-develop/tree/v3.6.3","project_id":15299476,"created_at":"2024-05-11T12:11:50+08:00","is_prerelease":false,"description":"## 更新列表\r\n### 功能\r\n- 等变 DeepKS 的描述子 #3982\r\n- h(r) 与 dm(r) 在npz格式下的读写 #4066\r\n- 输出 local-xc 与 exx 项对轨道能量的贡献以及交换关联矩阵 #4013\r\n- 为device.cpp内的函数增加对硬件的检查 #4106\r\n- 改进 H 与 S 矩阵的输出：当 SCF 达到最大步数时，即使电荷密度未收敛，依然输出这些矩阵 #4147\r\n\r\n### 文档\r\n- 增加与symmetry参数有关的文档 #4073\r\n- 移除多余的 ```  #4133\r\n- 推迟 deltaspin 的发布\r\n\r\n### Bug修复\r\n- 用std::abs()替代abs() #4076\r\n- 在read_wfc_nao.cpp中参数不匹配时增加报错并退出 #4087\r\n- 删除Gint中未使用的指针 #4009\r\n- 修复DCU下的编译错误 #4097\r\n- 增加一些错误相关的提示 #4100\r\n- 修复 dav_subspace 方法中 E 值的收敛问题 #4052\r\n- 修复plot-tools中 nspin=2 与 shift=True 时的bug #4116\r\n- 在 KPT 未正确设置时缺少提示 #4134\r\n\r\n### 重构\r\n- 将istate_charge.cpp重构以减少与其他模块的依赖 #4086\r\n- 优化的三次样条插值类 #4081\r\n- 将 lm-\u003EparaV 替换为 paraV 以简化参数 #4110\r\n\r\n### 构建与测试\r\n- 增加CI测试的时间上限 #4098\r\n- 将 Intel MPI 版本固定为2021.21.1 #4105\r\n- 修改 CUDA 测试 #4083\r\n- 固定 Intel MPI 版本以避免性能降低 #4065\r\n- 更新 runner 的配置 #4088\r\n- 在自托管的 runner 上构建带标签的镜像 #4089\r\n- 修复 Autotest.sh 中参数的顺序错误 #4118\r\n\r\n**Full Changelog**: https://gitee.com/deepmodeling/abacus-develop/compare/v3.6.2...v3.6.3\r\n","author":{"name":"金祖鑫","username":"jin-zuxin","path":"/jin-zuxin","avatar_url":"no_portrait.png#金祖鑫-jin-zuxin"},"attach_files":[],"zip_download_url":"/deepmodeling/abacus-develop/releases/tag/v3.6.3.zip","tar_download_url":"/deepmodeling/abacus-develop/releases/tag/v3.6.3.tar.gz"}}}