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License:
BSD 3-Clause License Copyright (c) 2024, the cclib development team All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that ...
Summary:
parsers and algorithms for computational chemistry
Latest version:
1.8.1
Required dependencies:
numpy
|
packaging
|
periodictable
|
scipy
Optional dependencies:
ase
|
biopython
|
cclib
|
coverage
|
openbabel
|
pandas
|
pyscf
|
pytest
|
pytest-cov
|
qc-iodata
|
sphinx
|
sphinx-rtd-theme
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