DiffPy-CMI tutorial

Example Jupyter notebooks and data files for the DiffPy-CMI tutorial at the ADD 2019 conference.

Name		Name	Last commit message	Last commit date
Latest commit History 16 Commits
wip		wip
.gitattributes		.gitattributes
.gitignore		.gitignore
01-Structure-Representation.ipynb		01-Structure-Representation.ipynb
02-Function-Calculators.ipynb		02-Function-Calculators.ipynb
03-SrFit-demo-constraints-restraints.ipynb		03-SrFit-demo-constraints-restraints.ipynb
04-SrFit-two-datasets.ipynb		04-SrFit-two-datasets.ipynb
05-Fit-NaCl-BVS-restraint.ipynb		05-Fit-NaCl-BVS-restraint.ipynb
06-Fit-CdSe-nanoparticle.ipynb		06-Fit-CdSe-nanoparticle.ipynb
08-Orient-Naphthalene.ipynb		08-Orient-Naphthalene.ipynb
09-Magnetic-PDF.ipynb		09-Magnetic-PDF.ipynb
10-NPDF-Fit-twothetazero.ipynb		10-NPDF-Fit-twothetazero.ipynb
99-problems.ipynb		99-problems.ipynb
99-solutions.ipynb		99-solutions.ipynb
Au.cif		Au.cif
CdSe.gr		CdSe.gr
CdSe_T5.xyz		CdSe_T5.xyz
CdSe_zinc-blende.cif		CdSe_zinc-blende.cif
MnO_struc.stru		MnO_struc.stru
MnOfit_PDFgui.fgr		MnOfit_PDFgui.fgr
NaCl.cif		NaCl.cif
NaCl.gr		NaCl.gr
Ni-9008476.cif		Ni-9008476.cif
Ni-q27r60-xray.gr		Ni-q27r60-xray.gr
Ni.cif		Ni.cif
README.md		README.md
TiO2_rutile.cif		TiO2_rutile.cif
cdse_functions.py		cdse_functions.py
naphthalene.cif		naphthalene.cif
naphthalene.gr		naphthalene.gr
naphthalene_functions.py		naphthalene_functions.py
ni_755tthM.dat		ni_755tthM.dat
quinacridone-beta.cif		quinacridone-beta.cif

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