update AS changes#1

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mmarianski wants to merge 61 commits intommarianski:masterfrom

adrianasupady:master

Commits on Jul 14, 2015

Commits on Jul 15, 2015

Commits on Jul 23, 2015

Added docstrings to the Torsion class
adrianasupady
committed

Commits on Jul 24, 2015

Added an outlook section to the README file
adrianasupady
committed

Commits on Jul 29, 2015

Bug fix: fixed the string update in the Torsion object in the apply_on_string and update methods
adrianasupady
committed
Bug fix: fixed the wrong indentation in the mutate_ring method in the measure module
adrianasupady
committed

Commits on Aug 6, 2015

Commits on Aug 19, 2015

Create parameters_orca.txt
ptrab
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Update README.md
ptrab
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Update __init__.py
ptrab
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Update run_utilities.py
ptrab
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Update structure.py
ptrab
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Update utilities.py
ptrab
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Create pyorca.py
ptrab
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Commits on Sep 8, 2015

Update parameters_orca.txt
ptrab
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Update utilities.py
ptrab
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Update run_utilities.py
ptrab
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Commits on Sep 30, 2015

Changed the returned energy value to be in eV
adrianasupady
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Commits on Oct 6, 2015

Commits on Oct 19, 2015

Added the arxiv link with the paper preprint
adrianasupady
committed

Commits on Nov 13, 2015

Commits on Dec 8, 2015

Added the DOI to the paper. Added the information about launching of the new feature branch.
adrianasupady
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Commits on Dec 10, 2015

Improved the check geometry function. Moved the distance function from the inside of the check geometry function to allow for global use.
adrianasupady
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Commits on Apr 19, 2016

Added 'from future import division' to ensure correct division
adrianasupady
committed

Commits on Jan 1, 2020

Update in README
adrianasupady
authored