QuantumTuna 0.4.0__tar.gz

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Files changed (19) hide show
  1. quantumtuna-0.4.0/PKG-INFO +11 -0
  2. quantumtuna-0.4.0/QuantumTuna.egg-info/PKG-INFO +11 -0
  3. quantumtuna-0.4.0/QuantumTuna.egg-info/SOURCES.txt +17 -0
  4. quantumtuna-0.4.0/QuantumTuna.egg-info/dependency_links.txt +1 -0
  5. quantumtuna-0.4.0/QuantumTuna.egg-info/requires.txt +2 -0
  6. quantumtuna-0.4.0/QuantumTuna.egg-info/top_level.txt +1 -0
  7. quantumtuna-0.4.0/README.md +1 -0
  8. quantumtuna-0.4.0/setup.cfg +4 -0
  9. quantumtuna-0.4.0/setup.py +19 -0
  10. quantumtuna-0.4.0/twona/__init__.py +8 -0
  11. quantumtuna-0.4.0/twona/tuna.py +931 -0
  12. quantumtuna-0.4.0/twona/tuna_anharm.py +84 -0
  13. quantumtuna-0.4.0/twona/tuna_basis.py +172 -0
  14. quantumtuna-0.4.0/twona/tuna_dispersion.py +33 -0
  15. quantumtuna-0.4.0/twona/tuna_integral.py +245 -0
  16. quantumtuna-0.4.0/twona/tuna_mp2.py +139 -0
  17. quantumtuna-0.4.0/twona/tuna_postscf.py +304 -0
  18. quantumtuna-0.4.0/twona/tuna_scf.py +262 -0
  19. quantumtuna-0.4.0/twona/tuna_thermo.py +99 -0
quantumtuna-0.4.0/PKG-INFO ADDED
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+ Metadata-Version: 2.1
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+ Name: QuantumTuna
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+ Version: 0.4.0
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+ Summary: A user-friendly quantum chemistry program for diatomics!
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+ Home-page: https://github.com/harrybrough1/TUNA
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+ Author: Harry Brough
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+ Author-email: harry.brough@yahoo.com
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+ License: BSD 2-clause
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+ Classifier: Programming Language :: Python :: 3.13
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+ Requires-Dist: numpy
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+ Requires-Dist: setuptools
quantumtuna-0.4.0/QuantumTuna.egg-info/PKG-INFO ADDED
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+ Metadata-Version: 2.1
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+ Name: QuantumTuna
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+ Version: 0.4.0
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+ Summary: A user-friendly quantum chemistry program for diatomics!
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+ Home-page: https://github.com/harrybrough1/TUNA
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+ Author: Harry Brough
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+ Author-email: harry.brough@yahoo.com
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+ License: BSD 2-clause
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+ Classifier: Programming Language :: Python :: 3.13
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+ Requires-Dist: numpy
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+ Requires-Dist: setuptools
quantumtuna-0.4.0/QuantumTuna.egg-info/SOURCES.txt ADDED
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+ README.md
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+ setup.py
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+ QuantumTuna.egg-info/PKG-INFO
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+ QuantumTuna.egg-info/SOURCES.txt
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+ QuantumTuna.egg-info/dependency_links.txt
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+ QuantumTuna.egg-info/requires.txt
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+ QuantumTuna.egg-info/top_level.txt
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+ twona/__init__.py
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+ twona/tuna.py
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+ twona/tuna_anharm.py
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+ twona/tuna_basis.py
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+ twona/tuna_dispersion.py
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+ twona/tuna_integral.py
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+ twona/tuna_mp2.py
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+ twona/tuna_postscf.py
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+ twona/tuna_scf.py
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+ twona/tuna_thermo.py
quantumtuna-0.4.0/QuantumTuna.egg-info/requires.txt ADDED
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+ numpy
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+ setuptools
quantumtuna-0.4.0/README.md ADDED
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+ Test
quantumtuna-0.4.0/setup.cfg ADDED
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+ [egg_info]
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+ tag_build =
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+ tag_date = 0
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+
quantumtuna-0.4.0/setup.py ADDED
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+ from setuptools import setup
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+
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+ setup(
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+ name='QuantumTuna',
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+ version='0.4.0',
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+ description='A user-friendly quantum chemistry program for diatomics!',
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+ url='https://github.com/harrybrough1/TUNA',
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+ author='Harry Brough',
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+ author_email='harry.brough@yahoo.com',
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+ license='BSD 2-clause',
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+ packages=['twona'],
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+ install_requires=['numpy',
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+ 'setuptools',
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+ ],
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+
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+ classifiers=[
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+ 'Programming Language :: Python :: 3.13',
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+ ],
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+ )
quantumtuna-0.4.0/twona/__init__.py ADDED
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+ """
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+ TUNA
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+
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+ An user-friendly quantum chemistry program for diatomics.
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+ """
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+
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+ __version__ = "0.4.0"
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+ __author__ = 'Harry Brough'