Metadata-Version: 2.1
Name: quantized
Version: 0.0.1a0
Summary: Quantifying Probabilistic Electron Transit times.
License: MIT
Author: Evan Curtin
Author-email: fakeemail@gmail.com
Requires-Python: >=3.7.0,<4.0.0
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.7
Requires-Dist: attrs (>=19.3,<20.0)
Requires-Dist: cattrs (>=1.0,<2.0)
Requires-Dist: click (>=7.0,<8.0)
Requires-Dist: joblib (>=0.14.1,<0.15.0)
Requires-Dist: loguru (>=0.4.0,<0.5.0)
Requires-Dist: matplotlib (>=3.1,<4.0)
Requires-Dist: numba (>=0.43.0,<0.44.0)
Requires-Dist: numpy (>=1.17,<2.0)
Requires-Dist: scipy (>=1.3,<2.0)
Requires-Dist: tqdm (>=4.39,<5.0)
Description-Content-Type: text/markdown

# Transit-Chem

[Documentation Home](https://transit-chem.readthedocs.io)


Library for solving the time dependent schroedinger equation, 
and finding the probablilistic confidence of the time it takes for a quantum
particle to move from one place to another. Based on 
[this paper](https://www.worldscientific.com/doi/10.1142/S0219633618500463).

## Features

- Harmonic Oscillator Basis Functions
- Functional API for Solving the Time Independent/Time Dependent Schroedinger Equation
- Molecular manipulations: translation, rotation, etc
- Guaranteed 90%+ test coverage
- CLI for 1d transit time analysis
- Caching and optimizations for overlap and hamiltonian integrals
- Fully type hinted
- Logging and input validation, with helpful error messages


## License
[License](LICENSE.md)

