You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
We recommend using `aiida-abacus` with [ABACUS LTS (`v3.10.0`)](https://github.com/deepmodeling/abacus-develop/releases/tag/LTSv3.10.0).
38
43
This is a Long-Term Supported stable release. The LTS version will only receive essential bug fixes and performance optimization PRs, without introducing code modifications that might affect computational accuracy and precision, nor changes to input parameter names & output formats.
@@ -56,8 +61,12 @@ At least one pseudo potential family should be installed. For more information o
56
61
57
62
## Documentation
58
63
64
+
See [our online docs](https://aiida-abacus.readthedocs.io/).
65
+
59
66
- Quick start
60
67
68
+
We ofter a [quick start tutorial](https://aiida-abacus.readthedocs.io/en/latest/tutorials/index.html) that provides two ways to get started: try Aiida-ABACUS instantly with our live JupyterLab environment powered by Binder, or follow the step-by-step guide to quickly set up a local installation and begin using the plugin.
69
+
61
70
See the `examples` directory to learn about how to run this plugin with scripts.
62
71
63
72
- Get started with [AiiDA](https://aiida-tutorials.readthedocs.io/en/latest/sections/getting_started/index.html). It is strongly recommended that the AiiDA setup and basics tutorials should be read and followed to ensure that the environment is set up correctly, while acquiring the relevant basic knowledge and basic concepts in AiiDA & getting to learn about using `verdi` CLI/APIs.
@@ -75,7 +84,7 @@ verdi run example_pw_Si2.py # run example calculation
75
84
verdi process list -a # check record of calculation
76
85
```
77
86
* Running calculations on a cluster is essentially the same, except that you need to configure the remote computer.
78
-
- We provide a simple setup demo `remote-slurm-ssh-setup.yml` in the `examples` dir. You can follow the guide in [How to set up a computer](https://aiida.readthedocs.io/projects/aiida-core/en/latest/howto/run_codes.html#how-to-set-up-a-computer) to configure a computational resource. Please configure `prepend_text` according to your remote environment if Intel® oneAPI Toolkit is used to build ABACUS.
87
+
- We provide simple setup demo config files `remote-slurm-ssh-setup.yml`and `localhost-direct-local-setup.yml`in the `examples` dir. You can follow the guide in [How to set up a computer](https://aiida.readthedocs.io/projects/aiida-core/en/latest/howto/run_codes.html#how-to-set-up-a-computer) to configure a computational resource. Please configure `prepend_text` according to your remote environment if [Intel® oneAPI Toolkit](https://www.intel.com/content/www/us/en/developer/tools/oneapi/toolkits.html) is used to build ABACUS.
79
88
80
89
- You can also run the interactive Jupyter notebook `binder-example.ipynb` in the `examples` directory locally for a glimpse into `aiida-abacus`.
0 commit comments