├── .gitignore ├── CH4_example.py ├── LICENSE.txt ├── NO.py ├── README.md ├── benzene_transport_example.py ├── files_CH4 ├── CH4.txt ├── h.txt └── s.txt ├── files_benzene ├── benzene.txt ├── h.txt └── s.txt ├── parse_g09.py └── pic.png /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/andersborges/natural-orbitals/HEAD/.gitignore -------------------------------------------------------------------------------- /CH4_example.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/andersborges/natural-orbitals/HEAD/CH4_example.py -------------------------------------------------------------------------------- /LICENSE.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/andersborges/natural-orbitals/HEAD/LICENSE.txt -------------------------------------------------------------------------------- /NO.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/andersborges/natural-orbitals/HEAD/NO.py -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/andersborges/natural-orbitals/HEAD/README.md -------------------------------------------------------------------------------- /benzene_transport_example.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/andersborges/natural-orbitals/HEAD/benzene_transport_example.py -------------------------------------------------------------------------------- /files_CH4/CH4.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/andersborges/natural-orbitals/HEAD/files_CH4/CH4.txt -------------------------------------------------------------------------------- /files_CH4/h.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/andersborges/natural-orbitals/HEAD/files_CH4/h.txt -------------------------------------------------------------------------------- /files_CH4/s.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/andersborges/natural-orbitals/HEAD/files_CH4/s.txt -------------------------------------------------------------------------------- /files_benzene/benzene.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/andersborges/natural-orbitals/HEAD/files_benzene/benzene.txt -------------------------------------------------------------------------------- /files_benzene/h.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/andersborges/natural-orbitals/HEAD/files_benzene/h.txt -------------------------------------------------------------------------------- /files_benzene/s.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/andersborges/natural-orbitals/HEAD/files_benzene/s.txt -------------------------------------------------------------------------------- /parse_g09.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/andersborges/natural-orbitals/HEAD/parse_g09.py -------------------------------------------------------------------------------- /pic.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/andersborges/natural-orbitals/HEAD/pic.png --------------------------------------------------------------------------------