AUTHORS.rst
LICENSE.rst
MANIFEST.in
README.rst
pyproject.toml
setup.py
docs/examples/core/debye-waller/debyemodel.py
docs/examples/core/debye-waller/debyemodelII.py
docs/examples/core/gaussianfit/gaussian.dat
docs/examples/core/gaussianfit/gaussiangenerator.py
docs/examples/core/gaussianfit/gaussianrecipe.py
docs/examples/core/gaussianfit/interface.py
docs/examples/core/gaussianfit/simplerecipe.py
docs/examples/core/gaussianfit/threedoublepeaks.dat
docs/examples/core/gaussianfit/threedoublepeaks.py
docs/examples/core/intensityfit/C60.gr
docs/examples/core/intensityfit/C60.iq
docs/examples/core/intensityfit/C60.stru
docs/examples/core/intensityfit/C60_1.iq
docs/examples/core/intensityfit/C60_2.iq
docs/examples/core/intensityfit/npintensity.py
docs/examples/core/intensityfit/npintensityII.py
docs/examples/core/linefit/03-SrFit-demo-constraints-restraints.ipynb
docs/examples/core/linefit/SrFit-demo-constraints-restraints.py
docs/examples/core/readme/README
docs/examples/pdf/ch03NiModelling/data/Ni.cif
docs/examples/pdf/ch03NiModelling/data/Ni.gr
docs/examples/pdf/ch03NiModelling/data/Pt-nanoparticles.gr
docs/examples/pdf/ch03NiModelling/data/Pt.cif
docs/examples/pdf/ch03NiModelling/exercises/diffpy-cmi/fitBulkNi.ipynb
docs/examples/pdf/ch03NiModelling/exercises/diffpy-cmi/fitNPPt.ipynb
docs/examples/pdf/ch03NiModelling/solutions/diffpy-cmi/fitBulkNi.py
docs/examples/pdf/ch03NiModelling/solutions/diffpy-cmi/fitBulkNi_NPPt_soln2.ipynb
docs/examples/pdf/ch03NiModelling/solutions/diffpy-cmi/fitNPPt.py
docs/examples/pdf/ch03NiModelling/solutions/diffpy-cmi/helper_functions.py
docs/examples/pdf/ch05Fit2Phase/data/Ni_Fm-3m.cif
docs/examples/pdf/ch05Fit2Phase/data/Si_Fd-3m.cif
docs/examples/pdf/ch05Fit2Phase/data/ni.gr
docs/examples/pdf/ch05Fit2Phase/data/si.gr
docs/examples/pdf/ch05Fit2Phase/data/sini.gr
docs/examples/pdf/ch05Fit2Phase/data/iq/ni.iq
docs/examples/pdf/ch05Fit2Phase/data/iq/ph.txt
docs/examples/pdf/ch05Fit2Phase/data/iq/si.iq
docs/examples/pdf/ch05Fit2Phase/data/iq/sini.iq
docs/examples/pdf/ch05Fit2Phase/solutions/diffpy-cmi/fit2P.py
docs/examples/pdf/ch06RefineCrystalStructureGen/data/BaZn2As2.cif
docs/examples/pdf/ch06RefineCrystalStructureGen/data/BaZn2As2_K-Mn-doped_300K.gr
docs/examples/pdf/ch06RefineCrystalStructureGen/solutions/diffpy-cmi/fitCrystalGen.py
docs/examples/pdf/ch06RefineCrystalStructureGen/solutions/pdfgui/BaZn2As2_mod.cif
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_150K.gr
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_156K.gr
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_162K.gr
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_168K.gr
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_174K.gr
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_180K.gr
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_186K.gr
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_192K.gr
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_198K.gr
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_204K.gr
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_210K.gr
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_216K.gr
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_222K.gr
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_228K.gr
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_234K.gr
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_240K.gr
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_246K.gr
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_orthorhombic.cif
docs/examples/pdf/ch07StructuralPhaseTransitions/data/SrFe2As2_tetragonal.cif
docs/examples/pdf/ch07StructuralPhaseTransitions/solutions/diffpy-cmi/fitTSeries.py
docs/examples/pdf/ch08NPRefinement/data/CdSe-1.gr
docs/examples/pdf/ch08NPRefinement/data/CdSe-2.gr
docs/examples/pdf/ch08NPRefinement/data/CdSe-3.gr
docs/examples/pdf/ch08NPRefinement/data/CdSe-4.gr
docs/examples/pdf/ch08NPRefinement/data/CdSe-Wurtzite.cif
docs/examples/pdf/ch08NPRefinement/data/CdSe-Zincblende.cif
docs/examples/pdf/ch08NPRefinement/data/CdSe-bulk.gr
docs/examples/pdf/ch08NPRefinement/solutions/diffpy-cmi/fitCdSeNP.py
docs/examples/pdf/ch11ClusterXYZ/data/CdSe.gr
docs/examples/pdf/ch11ClusterXYZ/data/CdSe.xyz
docs/examples/pdf/ch11ClusterXYZ/solutions/diffpy-cmi/fitCdSeNP.py
docs/examples/pdf/nanoparticle-fit/CdS.cif
docs/examples/pdf/nanoparticle-fit/CdS_ZnS_nano.gr
docs/examples/pdf/nanoparticle-fit/ZnS.cif
docs/examples/pdf/nanoparticle-fit/coreshellnp.py
requirements/conda.txt
requirements/docs.txt
requirements/tests.txt
requirements/packs/core.txt
requirements/packs/docs.txt
requirements/packs/pdf.txt
requirements/packs/plotting.txt
requirements/packs/tests.txt
requirements/packs/scripts/_pytest.bat
requirements/packs/scripts/_pytest.sh
requirements/packs/scripts/tar_url.txt
requirements/profiles/_tests.yml
requirements/profiles/pdf-plus.yml
src/diffpy/__init__.py
src/diffpy.cmi.egg-info/PKG-INFO
src/diffpy.cmi.egg-info/SOURCES.txt
src/diffpy.cmi.egg-info/dependency_links.txt
src/diffpy.cmi.egg-info/entry_points.txt
src/diffpy.cmi.egg-info/requires.txt
src/diffpy.cmi.egg-info/top_level.txt
src/diffpy/cmi/__init__.py
src/diffpy/cmi/cli.py
src/diffpy/cmi/conda.py
src/diffpy/cmi/fit_tools.py
src/diffpy/cmi/installer.py
src/diffpy/cmi/log.py
src/diffpy/cmi/packsmanager.py
src/diffpy/cmi/profilesmanager.py
src/diffpy/cmi/version.py
tests/conftest.py
tests/test_cli.py
tests/test_packsmanager.py
tests/test_profilesmanager.py
tests/test_version.py