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drmeister/cando

By drmeister

•Updated over 6 years ago

The CANDO computational chemistry environment

Image
7

1.9K

drmeister/cando repository overview

⁠CANDO - A Computational Chemistry programming environment integrating Common Lisp and C++

  1. Start a shell and run:
docker run -v $HOME:/home/app/home -p 8888:8888 -p 4005:4005 -it drmeister/cando
  1. After about 30 seconds of output you will see some gobbledygook like:
[I 06:20:16.679 LabApp](B The Jupyter Notebook is running at:
[I 06:20:16.679 LabApp](B http://(ab4f81776d52 or 127.0.0.1):8888/
[I 06:20:16.680 LabApp](B Use Control-C to stop this server and shut down all kernels (twice to skip confirmation).
[I 06:20:25.304 LabApp](B Creating new notebook in /
[I 06:20:25.315 LabApp](B Writing notebook-signing key to /home/app/.local/share/jupyter/notebook_secret
[I 06:20:25.416 LabApp](B Kernel started: 88dc3e29-70af-4212-a629-0a7358cb1d97

  1. Copy/paste or type http://0.0.0.0:8888⁠ into your browser - we usually use Chrome, but Safari works as well.

  2. Select a "Cando" Notebook.

  3. You will see a horizontal box into which you can type Common Lisp code.

  4. Start using Cando

There are some example notebooks in demos.

*Your home directory is mounted in home

Tag summary

Content type

Image

Digest

Size

3 GB

Last updated

over 6 years ago

docker pull drmeister/cando