This package contains tools for generating internal coordiantes and the corresponding B matrix [1] for molecules as well as for periodic systems. It is a part of of the GADGET suite and if you use bmatrix in a scientific publication, please cite it as:
Bučko, T., Hafner, J., & Ángyán, J. G. (2005). Geometry optimization of periodic systems using internal coordinates. The Journal of Chemical Physics, 122(12), 124508. doi:10.1063/1.1864932
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Release files for bmatrix 1.0.1
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| bmatrix-1.0.1.tar.gz | 29.5 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| bmatrix-1.0.1-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 73.8 kB
Release files / bmatrix-1.0.1.tar.gz
| Download URL | bmatrix-1.0.1.tar.gz |
|---|---|
| Size | 29.5 kB |
| Tags | Source |
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SHA-256 checksum How to use checksums |
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poetry/1.1.7 CPython/3.8.10 Linux/5.4.0-81-generic
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Release files / bmatrix-1.0.1-py3-none-any.whl
| Download URL | bmatrix-1.0.1-py3-none-any.whl |
|---|---|
| Size | 44.3 kB |
| Tags | Python 3 |
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SHA-256 checksum How to use checksums |
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No |
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poetry/1.1.7 CPython/3.8.10 Linux/5.4.0-81-generic
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