├── .gitignore ├── LICENSE ├── README.md ├── __init__.py ├── conda_build_config.yaml ├── examples └── input.txt ├── meta.yaml ├── pesviewer ├── __init__.py ├── gen_resonant_structs.py └── pesviewer.py └── pyproject.toml /.gitignore: -------------------------------------------------------------------------------- 1 | .idea 2 | build 3 | dist 4 | __pycache__ 5 | *egg-info 6 | .vscode 7 | .DS_store -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/zadorlab/PESViewer/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/zadorlab/PESViewer/HEAD/README.md -------------------------------------------------------------------------------- /__init__.py: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /conda_build_config.yaml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/zadorlab/PESViewer/HEAD/conda_build_config.yaml -------------------------------------------------------------------------------- /examples/input.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/zadorlab/PESViewer/HEAD/examples/input.txt -------------------------------------------------------------------------------- /meta.yaml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/zadorlab/PESViewer/HEAD/meta.yaml -------------------------------------------------------------------------------- /pesviewer/__init__.py: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /pesviewer/gen_resonant_structs.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/zadorlab/PESViewer/HEAD/pesviewer/gen_resonant_structs.py -------------------------------------------------------------------------------- /pesviewer/pesviewer.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/zadorlab/PESViewer/HEAD/pesviewer/pesviewer.py -------------------------------------------------------------------------------- /pyproject.toml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/zadorlab/PESViewer/HEAD/pyproject.toml --------------------------------------------------------------------------------