atomict 1.2.14

The client application for the https://atomictessellator.com/

Atomic Tessellator - CLI package

Installation

pip install atomict

# install utils package with scientific extensions (ase, spglib) 
pip install atomict[utils]

# ", with a git url
pip install git+https://github.com/AtomicTessellator/atomic_cli#egg=atomict[utils]

# Troubleshooting
If pip install is not working, try:
pip install --upgrade setuptools pip wheel

Installation for devs

pip install -e ".[dev]"

Enable verbose logging for debugging:

export AT_DEBUG=enabled

CLI Usage

Get a list of available commands

$ tess

You can get help for each command with tess <command> --help. This will print the command-specific help and options.

Log in and store authentication token

$ tess login

This will prompt you for your username and password.

Get a list of available projects

$ tess project get

Get a list of adsorbates

$ tess adsorbate get

Search objects for substrings

$ tess adsorbate get --search NH3

Get a list of tasks

$ tess task get

Get tasks with a specific status

$ tess task get --status completed

Configuration

Tab completion is available. Run the hidden command:

tess completion

This will print out the instructions for enabling tab completion for your shell.