├── .gitignore ├── .idea ├── .gitignore ├── Pyrough.iml ├── inspectionProfiles │ ├── Project_Default.xml │ └── profiles_settings.xml ├── misc.xml ├── modules.xml └── vcs.xml ├── CONTRIBUTING.md ├── LICENSE ├── Pyrough.py ├── README.md ├── docs ├── .nojekyll ├── Makefile ├── _images │ ├── H_influence.png │ ├── eta_influence.png │ └── shapes.png ├── _sources │ ├── biblio.rst.txt │ ├── credits.rst.txt │ ├── equations.rst.txt │ ├── functions.rst.txt │ ├── index.rst.txt │ ├── installation.rst.txt │ ├── script │ │ ├── Func_pyrough.rst.txt │ │ ├── Param_class.rst.txt │ │ ├── Pyrough.rst.txt │ │ ├── Sample_class.rst.txt │ │ └── Surface_Analysis.rst.txt │ └── shapes.rst.txt ├── _static │ ├── Logo.png │ ├── ajax-loader.gif │ ├── basic.css │ ├── comment-bright.png │ ├── comment-close.png │ ├── comment.png │ ├── css │ │ ├── badge_only.css │ │ ├── fonts │ │ │ ├── Roboto-Slab-Bold.woff │ │ │ ├── Roboto-Slab-Bold.woff2 │ │ │ ├── Roboto-Slab-Regular.woff │ │ │ ├── Roboto-Slab-Regular.woff2 │ │ │ ├── fontawesome-webfont.eot │ │ │ ├── fontawesome-webfont.svg │ │ │ ├── fontawesome-webfont.ttf │ │ │ ├── fontawesome-webfont.woff │ │ │ ├── fontawesome-webfont.woff2 │ │ │ ├── lato-bold-italic.woff │ │ │ ├── lato-bold-italic.woff2 │ │ │ ├── lato-bold.woff │ │ │ ├── lato-bold.woff2 │ │ │ ├── lato-normal-italic.woff │ │ │ ├── lato-normal-italic.woff2 │ │ │ ├── lato-normal.woff │ │ │ └── lato-normal.woff2 │ │ └── theme.css │ ├── doctools.js │ ├── down-pressed.png │ ├── down.png │ ├── file.png │ ├── jquery.js │ ├── js │ │ ├── badge_only.js │ │ ├── html5shiv-printshiv.min.js │ │ ├── html5shiv.min.js │ │ └── theme.js │ ├── minus.png │ ├── plus.png │ ├── pygments.css │ ├── searchtools.js │ ├── underscore.js │ ├── up-pressed.png │ ├── up.png │ └── websupport.js ├── acknowledgments.html ├── biblio.html ├── build │ ├── doctrees │ │ ├── biblio.doctree │ │ ├── credits.doctree │ │ ├── environment.pickle │ │ ├── equations.doctree │ │ ├── functions.doctree │ │ ├── index.doctree │ │ ├── installation.doctree │ │ ├── script │ │ │ ├── Func_pyrough.doctree │ │ │ ├── Param_class.doctree │ │ │ ├── Pyrough.doctree │ │ │ ├── Sample_class.doctree │ │ │ └── Surface_Analysis.doctree │ │ └── shapes.doctree │ └── html │ │ ├── .buildinfo │ │ ├── .nojekyll │ │ ├── _images │ │ ├── H_influence.png │ │ └── shapes.png │ │ ├── _sources │ │ ├── biblio.rst.txt │ │ ├── credits.rst.txt │ │ ├── equations.rst.txt │ │ ├── functions.rst.txt │ │ ├── index.rst.txt │ │ ├── installation.rst.txt │ │ ├── script │ │ │ ├── Func_pyrough.rst.txt │ │ │ ├── Param_class.rst.txt │ │ │ ├── Pyrough.rst.txt │ │ │ ├── Sample_class.rst.txt │ │ │ └── Surface_Analysis.rst.txt │ │ └── shapes.rst.txt │ │ ├── _static │ │ ├── Logo.png │ │ ├── ajax-loader.gif │ │ ├── basic.css │ │ ├── comment-bright.png │ │ ├── comment-close.png │ │ ├── comment.png │ │ ├── css │ │ │ ├── badge_only.css │ │ │ ├── fonts │ │ │ │ ├── Roboto-Slab-Bold.woff │ │ │ │ ├── Roboto-Slab-Bold.woff2 │ │ │ │ ├── Roboto-Slab-Regular.woff │ │ │ │ ├── Roboto-Slab-Regular.woff2 │ │ │ │ ├── fontawesome-webfont.eot │ │ │ │ ├── fontawesome-webfont.svg │ │ │ │ ├── fontawesome-webfont.ttf │ │ │ │ ├── fontawesome-webfont.woff │ │ │ │ ├── fontawesome-webfont.woff2 │ │ │ │ ├── lato-bold-italic.woff │ │ │ │ ├── lato-bold-italic.woff2 │ │ │ │ ├── lato-bold.woff │ │ │ │ ├── lato-bold.woff2 │ │ │ │ ├── lato-normal-italic.woff │ │ │ │ ├── lato-normal-italic.woff2 │ │ │ │ ├── lato-normal.woff │ │ │ │ └── lato-normal.woff2 │ │ │ └── theme.css │ │ ├── doctools.js │ │ ├── down-pressed.png │ │ ├── down.png │ │ ├── file.png │ │ ├── jquery.js │ │ ├── js │ │ │ ├── badge_only.js │ │ │ ├── html5shiv-printshiv.min.js │ │ │ ├── html5shiv.min.js │ │ │ └── theme.js │ │ ├── minus.png │ │ ├── plus.png │ │ ├── pygments.css │ │ ├── searchtools.js │ │ ├── underscore.js │ │ ├── up-pressed.png │ │ ├── up.png │ │ └── websupport.js │ │ ├── biblio.html │ │ ├── credits.html │ │ ├── equations.html │ │ ├── functions.html │ │ ├── genindex.html │ │ ├── index.html │ │ ├── installation.html │ │ ├── objects.inv │ │ ├── py-modindex.html │ │ ├── script │ │ ├── Func_pyrough.html │ │ ├── Param_class.html │ │ ├── Pyrough.html │ │ ├── Sample_class.html │ │ └── Surface_Analysis.html │ │ ├── search.html │ │ ├── searchindex.js │ │ └── shapes.html ├── contact.html ├── credits.html ├── equations.html ├── equations.old_with_H.html ├── equations_H.html ├── equations_old.html ├── files │ ├── acknowledgments.rst │ ├── biblio.rst │ ├── conf.py │ ├── contact.rst │ ├── credits.rst │ ├── equations.rst │ ├── functions.rst │ ├── index.rst │ ├── installation.rst │ ├── pictures │ │ ├── H_influence.png │ │ ├── Influence_of_b.png │ │ ├── Logo.png │ │ ├── eta_influence.png │ │ └── shapes.png │ ├── script │ │ ├── Func_pyrough.rst │ │ ├── Param_class.rst │ │ ├── Pyrough.rst │ │ ├── Sample_class.rst │ │ └── Surface_Analysis.rst │ └── shapes.rst ├── functions.html ├── genindex.html ├── index.html ├── installation.html ├── make.bat ├── objects.inv ├── py-modindex.html ├── script │ ├── Func_pyrough.html │ ├── Param_class.html │ ├── Pyrough.html │ ├── Sample_class.html │ └── Surface_Analysis.html ├── search.html ├── searchindex.js └── shapes.html ├── examples ├── box.json ├── box_110.json ├── box_Mg_10-10.json ├── box_Mg_11-20.json ├── cube.json ├── cwire.json ├── fwire.json ├── grain.json ├── grain_fcc100_bcc100.json ├── precinmatrix_110bcc_in_100fcc.json ├── precinmatrix_bcc_sphere_in_hcp.json ├── readme.txt ├── sphere.json ├── surface │ ├── Rough_data.csv │ ├── readme.txt │ └── surface.png └── wulff.json ├── requirements.txt ├── setup.py └── src ├── Func_pyrough.py ├── Param_class.py ├── Sample_class.py └── Surface_Analysis.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/jamodeo12/Pyrough/HEAD/.gitignore -------------------------------------------------------------------------------- /.idea/.gitignore: -------------------------------------------------------------------------------- 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