Merge branch 'main' of...
Merge branch 'main' of git.noc.ruhr-uni-bochum.de:potentials-workshop-2022/workshop_preparation into update_phase_diagram
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- .gitignore 3 additions, 0 deletions.gitignore
- .pyiron 5 additions, 0 deletions.pyiron
- introduction/UnpackProject.ipynb 292 additions, 0 deletionsintroduction/UnpackProject.ipynb
- introduction/export.csv 5 additions, 0 deletionsintroduction/export.csv
- introduction/training.tar.gz 0 additions, 0 deletionsintroduction/training.tar.gz
- potentials/01-EAM/Al_3PreFinal.pckl.gz 0 additions, 0 deletionspotentials/01-EAM/Al_3PreFinal.pckl.gz
- potentials/01-EAM/HandsOnPotenitalFitting.ipynb 889 additions, 0 deletionspotentials/01-EAM/HandsOnPotenitalFitting.ipynb
- potentials/01-EAM/IntroductionPotentialFitting.ipynb 1645 additions, 0 deletionspotentials/01-EAM/IntroductionPotentialFitting.ipynb
- potentials/03-ACE/AlLi-6gen-18May.yace 1280 additions, 0 deletionspotentials/03-ACE/AlLi-6gen-18May.yace
- potentials/03-ACE/AlLi-6gen-18May.yaml 1415 additions, 0 deletionspotentials/03-ACE/AlLi-6gen-18May.yaml
- potentials/03-ACE/Lysogorskiy_pyiron_workshop_June2022.pdf 0 additions, 0 deletionspotentials/03-ACE/Lysogorskiy_pyiron_workshop_June2022.pdf
- potentials/03-ACE/pacemaker_example.ipynb 1558 additions, 0 deletionspotentials/03-ACE/pacemaker_example.ipynb
- potentials/pacemaker_example.ipynb 0 additions, 809 deletionspotentials/pacemaker_example.ipynb
- resources/lammps/potentials/ace/AlLi-6gen-18May.yace 1280 additions, 0 deletionsresources/lammps/potentials/ace/AlLi-6gen-18May.yace
- resources/lammps/potentials/atomicrex/AlLi-atomicrex2.eam.fs 90007 additions, 0 deletionsresources/lammps/potentials/atomicrex/AlLi-atomicrex2.eam.fs
- resources/lammps/potentials/atomicrex/AlLi.eam.fs 90007 additions, 0 deletionsresources/lammps/potentials/atomicrex/AlLi.eam.fs
- resources/lammps/potentials/potentials_lammps.csv 4 additions, 0 deletionsresources/lammps/potentials/potentials_lammps.csv
- validation/helper.py 14 additions, 6 deletionsvalidation/helper.py
- validation/mp_structures/Al2Li3-6021.cif 22 additions, 0 deletionsvalidation/mp_structures/Al2Li3-6021.cif
- validation/mp_structures/Li9Al4_mp-568404_primitive.cif 39 additions, 0 deletionsvalidation/mp_structures/Li9Al4_mp-568404_primitive.cif
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