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~marcodalessandro76/bigdft/1.8

~marcodalessandro76/bigdft/1.8

Viewing all changes in revision 2092.

Committer: Luigi Genovese
Date: 2018-11-18 14:25:28 UTC
mfrom: (2089.1.1 source)
Revision ID: luigi.genovese@cea.fr-20181118142528-txyqbwqt6ok7x3q8

merge with dalessandro version

files added:
PyBigDFT/source/tutorials/Datasets.ipynb

files modified:
PyBigDFT/BigDFT/Database/Molecules.py

PyBigDFT/BigDFT/Datasets.py

PyBigDFT/BigDFT/Fragments.py

PyBigDFT/BigDFT/InputActions.py

PyBigDFT/source/tutorials.rst

PyBigDFT/source/tutorials/CalculatorsExamples.ipynb

PyBigDFT/source/tutorials/input_minimal.yaml

PyBigDFT/source/tutorials/log.yaml

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added added

removed removed

PyBigDFT/BigDFT/Database/Molecules.py

PyBigDFT/BigDFT/Datasets.py

PyBigDFT/BigDFT/Fragments.py

PyBigDFT/BigDFT/InputActions.py

PyBigDFT/source/tutorials.rst

PyBigDFT/source/tutorials/CalculatorsExamples.ipynb

PyBigDFT/source/tutorials/Datasets.ipynb

PyBigDFT/source/tutorials/input_minimal.yaml

PyBigDFT/source/tutorials/log.yaml

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