Pre-release
This release is a pre-release and may not be stable for production use.
Transit-Chem
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.
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
1 maintainer
Release files for quantized 0.0.1a0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| quantized-0.0.1a0.tar.gz | 19.5 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| quantized-0.0.1a0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 42.8 kB
Release files / quantized-0.0.1a0.tar.gz
| Download URL | quantized-0.0.1a0.tar.gz |
|---|---|
| Size | 19.5 kB |
| Tags | Source |
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SHA-256 checksum How to use checksums |
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poetry/0.12.17 CPython/3.7.5 Windows/10
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Release files / quantized-0.0.1a0-py3-none-any.whl
| Download URL | quantized-0.0.1a0-py3-none-any.whl |
|---|---|
| Size | 23.3 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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| Uploaded via |
poetry/0.12.17 CPython/3.7.5 Windows/10
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