adf:scriptofadf
差别
后一修订版 | 前一修订版 |
adf:scriptofadf [2018/04/11 23:02] – 创建 liu.jun | adf:scriptofadf [2020/11/27 19:07] (当前版本) – liu.jun |
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======PLAMS:Python库与接口====== | ======PLAMS:Python库与接口====== |
[[https://www.scm.com/wp-content/uploads/Videos/PLAMS_Scripting_SetUp_ADFCommandLine_MacOS.mp4|视频教程(英文)]] | * [[https://www.scm.com/doc/plams|英文手册]] |
| * [[https://www.scm.com/doc/Tutorials/WorkflowsAndAutomation/PythonScriptingWithPLAMS.html|Python Scripting With PLAMS]] |
| * [[https://www.scm.com/doc/Tutorials/WorkflowsAndAutomation/GeneratingABatchOfJobs.html|Generating a batch of jobs and collecting results: Basis Set Effects for NH3 Geometry]] |
| * [[https://www.scm.com/doc/Tutorials/WorkflowsAndAutomation/MultipleMoleculesConformersMethods.html|Multiple molecules, conformers, multiple methods]] |
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adf/scriptofadf.1523458926.txt.gz · 最后更改: 2018/04/11 23:02 由 liu.jun