LICENSE.txt
MANIFEST.in
README.md
setup.py
Soprano.egg-info/PKG-INFO
Soprano.egg-info/SOURCES.txt
Soprano.egg-info/dependency_links.txt
Soprano.egg-info/entry_points.txt
Soprano.egg-info/requires.txt
Soprano.egg-info/top_level.txt
soprano/__init__.py
soprano/measure.py
soprano/optional.py
soprano/selection.py
soprano/utils.py
soprano/analyse/__init__.py
soprano/analyse/phylogen/__init__.py
soprano/analyse/phylogen/genes.py
soprano/analyse/phylogen/mapping.py
soprano/analyse/phylogen/metrics.py
soprano/analyse/phylogen/phylogenclust.py
soprano/calculate/__init__.py
soprano/calculate/gulp/__init__.py
soprano/calculate/gulp/_utils.py
soprano/calculate/gulp/charges.py
soprano/calculate/gulp/w99.py
soprano/calculate/nmr/__init__.py
soprano/calculate/nmr/nmr.py
soprano/calculate/nmr/simpson.py
soprano/calculate/powder/__init__.py
soprano/calculate/powder/powder.py
soprano/calculate/powder/shrewd.py
soprano/calculate/powder/triavg.py
soprano/calculate/powder/zcw.py
soprano/calculate/xrd/__init__.py
soprano/calculate/xrd/sel_rules.py
soprano/calculate/xrd/xrd.py
soprano/collection/__init__.py
soprano/collection/collection.py
soprano/collection/generate/__init__.py
soprano/collection/generate/airss.py
soprano/collection/generate/defect.py
soprano/collection/generate/linspace.py
soprano/collection/generate/molneigh.py
soprano/collection/generate/rattle.py
soprano/collection/generate/transform.py
soprano/data/__init__.py
soprano/data/hall2no_spgroups.json
soprano/data/hall_2_no.json
soprano/data/nmr.py
soprano/data/nmrdata.json
soprano/data/vdw.py
soprano/data/vdw_csd.json
soprano/data/vdw_jmol.json
soprano/data/w99_parameters.json
soprano/data/xrd_sel_rules.json
soprano/hpc/__init__.py
soprano/hpc/submitter/__init__.py
soprano/hpc/submitter/__main__.py
soprano/hpc/submitter/_spawn.py
soprano/hpc/submitter/castep.py
soprano/hpc/submitter/queues.py
soprano/hpc/submitter/submit.py
soprano/hpc/submitter/utils.py
soprano/hpc/submitter/debug/__init__.py
soprano/hpc/submitter/debug/debugqueue.py
soprano/nmr/__init__.py
soprano/nmr/tensor.py
soprano/nmr/utils.py
soprano/properties/__init__.py
soprano/properties/atomsproperty.py
soprano/properties/basic/__init__.py
soprano/properties/basic/basic.py
soprano/properties/castep/__init__.py
soprano/properties/castep/castep.py
soprano/properties/labeling/__init__.py
soprano/properties/labeling/labeling.py
soprano/properties/linkage/__init__.py
soprano/properties/linkage/linkage.py
soprano/properties/nmr/__init__.py
soprano/properties/nmr/dipolar.py
soprano/properties/nmr/efg.py
soprano/properties/nmr/isc.py
soprano/properties/nmr/ms.py
soprano/properties/order/__init__.py
soprano/properties/order/order.py
soprano/properties/symmetry/__init__.py
soprano/properties/symmetry/symmetry.py
soprano/properties/symmetry/utils.py
soprano/properties/transform/__init__.py
soprano/properties/transform/transform.py
soprano/scripts/__init__.py
soprano/scripts/msaverage.py
soprano/scripts/phylogen.py
soprano/scripts/vasp2cell.py