README 0.1
Package to calculate the molecular orbitals with the extended huckel method
Installation instructions
- Requirements
- Python 2.7/3.4 or higher
- Numpy
- PyYaml
- Scipy
-
Download the source code and place it in the installation directory
-
Run setup.py script to install python setup.py install --user
Contact info
Electronic Structure & Symmetry group. Department of Materials Science and Physical Chemistry. Institut de Química Teòrica i Computacional (IQTC-UB) University of Barcelona
2 maintainers
Metadata
2 maintainers
Release files for huckelpy 0.3
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Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| huckelpy-0.3.tar.gz | 15.6 kB | Without provenance | Details for huckelpy-0.3.tar.gz |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| huckelpy-0.3-py3-none-any.whl | Python 3 | none | any | Details for huckelpy-0.3-py3-none-any.whl |
Total release size: 28.9 kB
Release files / huckelpy-0.3.tar.gz
| Download URL | huckelpy-0.3.tar.gz |
|---|---|
| Size | 15.6 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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| Upload date | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.9.25
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Release files / huckelpy-0.3-py3-none-any.whl
| Download URL | huckelpy-0.3-py3-none-any.whl |
|---|---|
| Size | 13.4 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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| Upload date | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.9.25
|
Security for huckelpy 0.3
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