├── .codecov.yml ├── .editorconfig ├── .github └── workflows │ ├── build-openvdb.yml │ ├── build.yml │ ├── docs.yml │ ├── draft-pdf.yml │ └── stats.yml ├── .gitignore ├── CONTRIBUTING.md ├── LICENSE ├── README.md ├── doc.Dockerfile ├── docs ├── .gitignore ├── Makefile ├── _static │ ├── css │ │ └── custom.css │ └── img │ │ ├── .gitignore │ │ ├── background │ │ ├── cube_intersection.JPG │ │ └── marching_cubes.png │ │ ├── ch4_valence_orbitals.png │ │ ├── co_adsorption.png │ │ ├── den2obj_logo_128.png │ │ ├── favicon.ico │ │ ├── gallery │ │ ├── benzene_mos.jpg │ │ └── benzene_mos_denscloud.jpg │ │ └── tutorials │ │ ├── benzene_homo_blender_01.jpg │ │ ├── benzene_homo_blender_02.jpg │ │ ├── benzene_homo_result.png │ │ ├── genus2_blender_01.JPG │ │ ├── genus2_blender_02.JPG │ │ ├── genus2_result.png │ │ └── genus2_tetrahedra_versus_cubes.png ├── _templates │ └── breadcrumbs.html ├── background.rst ├── community_guidelines.rst ├── conf.py ├── d2o_fileformat.rst ├── examples.rst ├── faq.rst ├── index.rst ├── installation.rst ├── make.bat ├── tutorial.rst └── user_interface.rst ├── examples ├── .gitignore ├── README.md └── shared │ ├── CMakeLists.txt │ └── test_shared.cpp ├── img ├── CO_mos.jpg ├── comparison_mc_mt.jpg └── reac_diff_3d_network_small.png ├── paper ├── .gitignore ├── compile.sh ├── img │ ├── MO_benzene_CAN.png │ ├── benzene_mos_denscloud.jpg │ └── isosurface_examples.jpg ├── jats │ ├── benzene_mos_denscloud.jpg │ └── isosurface_examples.jpg ├── media │ └── img │ │ ├── benzene_mos_denscloud.jpg │ │ └── isosurface_examples.jpg ├── paper.bib ├── paper.jats └── paper.md ├── scripts ├── .gitignore ├── benzene_mo.py └── genus2.py └── src ├── CMakeLists.txt ├── check_endian.h ├── cmake └── modules │ └── FindCPPUNIT.cmake ├── config.h.in ├── d2o_format.cpp ├── d2o_format.h ├── den2obj.cpp ├── den2obj.pc.in ├── edgetable.h ├── float_parser.h ├── generator.cpp ├── generator.h ├── generator_benzene_data.h ├── generator_sto3g_data.h ├── isosurface.cpp ├── isosurface.h ├── isosurface_mesh.cpp ├── isosurface_mesh.h ├── math.h ├── periodic_table.cpp ├── periodic_table.h ├── scalar_field.cpp ├── scalar_field.h ├── test ├── CMakeLists.txt ├── test_d2o_fileformat.cpp ├── test_d2o_fileformat.h ├── test_file_creation.cpp ├── test_file_creation.h ├── test_generator.cpp ├── test_generator.h ├── test_isosurface.cpp ├── test_isosurface.h ├── test_scalarfield.cpp ├── test_scalarfield.h ├── testinput │ ├── .gitignore │ └── dataset.tar.bz2 └── unittest.cpp └── triangletable.h /.codecov.yml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ifilot/den2obj/HEAD/.codecov.yml -------------------------------------------------------------------------------- /.editorconfig: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ifilot/den2obj/HEAD/.editorconfig -------------------------------------------------------------------------------- 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