Post Index

Post Index

序号文章标题发布日期源文件
41Study note:激发态的波函数分析方法2025-06-092025-6-9-41.md
40从量子化学软件中产生波函数2025-06-032025-6-3-40.md
39部署gitea2025-05-282025-5-28-39.md
38部署https服务2025-05-262025-5-26-38.md
37BaneTop:Gaussian力场参数生成器2025-05-202025-5-20-37.md
36Gromacs-初识2025-05-152025-5-15-36.md
35运行oniom计算2025-05-142025-5-14-35.md
34orca输入文件格式记录2025-04-262025-4-26-34.md
33不使用ssh连接到服务器进行科学计算的工作流设计2025-04-252025-4-25-33.md
32为Linux服务器安装SMB服务2025-04-242025-4-24-32.md
31AICD-3.0.4的安装2025-04-192025-4-19-31.md
30slurm作业调度系统的安装2025-04-182025-4-18-30.md
29Study notes:ΔSCF2025-04-092025-4-9-29.md
28Study notes:芳香性的计算2025-04-072025-4-7-28.md
27Study notes:docker2025-03-312025-3-31-27.md
26一些库的从头编译2025-03-052025-3-5-26.md
25Study note:Autodock对接2025-02-142025-2-14-25.md
24C盘空间清理2025-02-102025-2-10-24.md
23利用molOCR截图识别文献中的结构2025-02-082025-2-8-23.md
22ollama + AnythingLLM 本地部署 deepseek-r1 和知识库2025-01-282025-1-28-ollama.md
21圆锥交叉点(MECI)的优化2025-01-202025-1-20-CIopt.md
20Study note:Fluorescence Probe - part B2024-12-242024-12-24-fl-mechanism-B.md
19Study note:振动分辨光谱+Huang-Rhys因子的计算2024-12-122024-12-12-Huang-Rhys.md
18Study note:Fluorescence Probe - part A2024-12-092024-12-9-fl-mechanism-A.md
17Study note:量子化学方法2024-11-282024-11-28-calcmethod.md
16Study note:集群环境下MOKIT的部署2024-11-232024-11-23-MOKIT.md
15Citation2024-11-222024-11-22-citation.md
14Study note:精确计算激发能的方法2024-11-162024-11-16-excitation_energy.md
13Tasker:Gaussian计算任务自动化工具集2024-11-162024-11-16-Tasker.md
12Study note:构象搜索2024-11-112024-11-11-molclus.md
11Orbital Viewer:快速可视化分子轨道工具2024-11-112024-11-11-OrbViewer.md
10Study note:自旋轨道耦合矩阵元的计算方法2024-11-092024-11-9-SOCME.md
9在新电脑上同步blog2024-11-052024-11-5-Set_Blog.md
8Gaussian入门:激发态计算2024-11-022024-11-2-Gaussian_td.md
7Gaussian入门:几何优化、振动分析和能量计算2024-11-012024-11-1-Gaussian_opt.md
6Study note:MarkDown2024-11-012024-11-1-MarkDown.md
5Study note:使用VMD和Multiwfn绘制图像2024-11-012024-11-1-VMD_render.md
4Study note:使用LeDock(Linux)进行批量对接2024-10-312024-10-31-LeDock_start.md
3估计氢键键能方法2024-10-302024-10-30-AIM.md
2Study note:弱相互作用的分析2024-10-302024-10-30-weak_interaction.md
1helloworld2024-10-292024-10-29-helloworld.md
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