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Bayesian Optimization Structure Search

Project description

First make sure you have python3.

Using PyPI one can simply give the command:

pip3 install [--user] aalto-boss

Now there exists a binary executable for the code called 'boss'.
It (likely) needs to be added to your PATH environment variable to be found.

To find the location where boss code was installed do:

pip3 show aalto-boss

Note that the executable is under /pip/installation/path/bin/
while the code itself is in /pip/installation/path/lib/python3.5/site-packages/.

Run boss optimization with command:

boss o <file>

where the last word is the name of the input file OR restart file (*.rst).

To do post-processing (data dumping, analysis, plotting etc..) as well run:

boss op <file>

See BOSS user manual for further instructions for how to prepare an input file.

If you are a developer, get the boss code from GitLab,
go to its root directory (boss/) and run:

python3 develop [--user]

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Filename, size & hash SHA256 hash help File type Python version Upload date
aalto_boss-0.7.3-py3-none-any.whl (33.9 kB) Copy SHA256 hash SHA256 Wheel py3 Sep 23, 2018
aalto-boss-0.7.3.tar.gz (22.7 MB) Copy SHA256 hash SHA256 Source None Sep 23, 2018

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