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Author:
Muhammed Shah Shaji
Summary:
Reproducible wavefunction post-processing with CLI, Python API, validation, and research exports
Latest version:
0.13.0
Required dependencies:
cclib
|
httpx
|
matplotlib
|
mcp
|
numpy
|
prompt-toolkit
|
qc-iodata
|
questionary
|
rich
Optional dependencies:
build
|
cclib
|
mcp
|
mkdocs
|
mkdocs-material
|
pexpect
|
psutil
|
pytest
|
pytest-cov
|
qc-iodata
|
ruff
|
tomli
|
twine
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