LICENSE
README.md
TODO
pyproject.toml
requirements.txt
test_shanc.py
.github/workflows/python-publish.yml
SHAnC.egg-info/PKG-INFO
SHAnC.egg-info/SOURCES.txt
SHAnC.egg-info/dependency_links.txt
SHAnC.egg-info/requires.txt
SHAnC.egg-info/top_level.txt
doc/Makefile
doc/conf.py
doc/index.rst
doc/make.bat
doc/tutorials.rst
doc/_static/css/custom.css
doc/tuto/installation.rst
shanc/README.md
shanc/__init__.py
shanc/add_chromophore.py
shanc/analysis.py
shanc/cycle_extraction.py
shanc/distortion.py
shanc/helix.py
shanc/helix_object.py
shanc/read_write.py
shanc/__pycache__/__init__.cpython-314.pyc
shanc/__pycache__/add_chromophore.cpython-314.pyc
shanc/__pycache__/analysis.cpython-314.pyc
shanc/__pycache__/cycle_extraction.cpython-314.pyc
shanc/__pycache__/distortion.cpython-314.pyc
shanc/__pycache__/helix.cpython-314.pyc
shanc/__pycache__/helix_object.cpython-314.pyc
shanc/__pycache__/import_libraries.cpython-314.pyc
shanc/__pycache__/read_write.cpython-314.pyc
shanc/demo_system/Create_a_nanohelix_of_silica.py
shanc/demo_system/Create_nanohelice_different_materials.py
shanc/demo_system/README.md
shanc/demo_system/__init__.py
shanc/demo_system/cuboid.data
shanc/demo_system/in_template.lmp
shanc/demo_system/quartz_dupl.data
shanc/demo_system/quartz_int.data
shanc/demo_system/Analysis_example/Add_chromophore.py
shanc/demo_system/Analysis_example/Analyze_surface.py
shanc/demo_system/Analysis_example/Extract_cycles.py
shanc/demo_system/Analysis_example/README.md
shanc/demo_system/Analysis_example/Structure_validation.py
shanc/demo_system/Analysis_example/au_pitch_200/README.md
shanc/demo_system/Analysis_example/au_pitch_200/au_helix/Au.data
shanc/demo_system/Analysis_example/au_pitch_200/au_helix/README.md
shanc/demo_system/Analysis_example/au_pitch_200/au_helix/au_dupl_p200.data
shanc/demo_system/Analysis_example/au_pitch_200/au_helix/coordination_metal.svg
shanc/demo_system/Analysis_example/au_pitch_200/au_helix/in_template_au.lmp
shanc/demo_system/Analysis_example/au_pitch_200/au_helix/in_template_au.out
shanc/demo_system/Analysis_example/au_pitch_200/au_helix/last_timestep.lammpstrj
shanc/demo_system/Analysis_example/au_pitch_200/au_helix/last_timestep.xyz
shanc/demo_system/Analysis_example/au_pitch_200/au_helix/log.lammps
shanc/demo_system/Analysis_example/au_pitch_200/au_helix/rdf_metal.svg
shanc/demo_system/Analysis_example/au_pitch_200/au_twist/Au.data
shanc/demo_system/Analysis_example/au_pitch_200/au_twist/README.md
shanc/demo_system/Analysis_example/au_pitch_200/au_twist/au_twist_dupl.data
shanc/demo_system/Analysis_example/au_pitch_200/au_twist/in_template_au_twist.lmp
shanc/demo_system/Analysis_example/au_pitch_200/au_twist/in_template_au_twist.out
shanc/demo_system/Analysis_example/au_pitch_200/au_twist/last_timestep.lammpstrj
shanc/demo_system/Analysis_example/au_pitch_200/au_twist/log.lammps
shanc/demo_system/Analysis_example/mol_file/1-propanamine.sdf
shanc/demo_system/Analysis_example/mol_file/1-propanamine.xyz
shanc/demo_system/Analysis_example/mol_file/README.md
shanc/demo_system/Analysis_example/mol_file/chromophore.data
shanc/demo_system/Analysis_example/mol_file/chromophore.mol
shanc/demo_system/Analysis_example/mol_file/chromophore.sdf
shanc/demo_system/Analysis_example/mol_file/chromophore.xyz
shanc/demo_system/Analysis_example/sio2_pitch_200/README.md
shanc/demo_system/Analysis_example/sio2_pitch_200/analysis.svg
shanc/demo_system/Analysis_example/sio2_pitch_200/beta_quartz.data
shanc/demo_system/Analysis_example/sio2_pitch_200/cycles.txt
shanc/demo_system/Analysis_example/sio2_pitch_200/in_template.lmp
shanc/demo_system/Analysis_example/sio2_pitch_200/last_timestep.lammpstrj
shanc/demo_system/Analysis_example/sio2_pitch_200/lims.png
shanc/demo_system/Analysis_example/sio2_pitch_200/quartz_dupl.data
shanc/demo_system/Analysis_example/sio2_pitch_200/quartz_int.data
shanc/demo_system/files_lattices/Ag.data
shanc/demo_system/files_lattices/Ag.xyz
shanc/demo_system/files_lattices/Au.data
shanc/demo_system/files_lattices/Au.xyz
shanc/demo_system/files_lattices/Cu.data
shanc/demo_system/files_lattices/Cu.xyz
shanc/demo_system/files_lattices/README.md
shanc/demo_system/files_lattices/SiO2.data
shanc/demo_system/files_lattices/SiO2.xyz
shanc/demo_system/files_lattices/Model_file/README.md
shanc/demo_system/files_lattices/Model_file/beta_quartz.data