unitcell
Utility package to work and operate on periodic lattices and crystal structures
Documentation: https://anglyan.github.io/unitcell/
About
unitcell is a utility package to work and operate on periodic lattices and
crystal structures. It was originally developed in 2008 as a helper
tool, and it has been recently updated to work with Python 3.0 and higher.
unitcell it is not intended to be a full-fledged crystallographic
package. For instance, it does not support CIF files. Its main purpose is to
generate and operate in arbitrary lattice, to carry out common tasks such as:
- Create periodic lattices and export them as XYZ files for visualization.
- Customize the visible points to visualize features such as steps or vacancies.
- Compute pair distribution functions for each site and extract neightbor lists.
- Compute crystallographic directions and crystal plane orientations.
- Generate graph structures for kinetic Monte Carlo simulations.
Status
unitcell is still in development and in process of being updated after a few
years in a drawer.
unitcell is licensed through the BSD licence.
1 maintainer
Metadata
1 maintainer
Release files for unitcell 0.1.1
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| unitcell-0.1.1.tar.gz | 9.6 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| unitcell-0.1.1-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 17.8 kB
Release files / unitcell-0.1.1.tar.gz
| Download URL | unitcell-0.1.1.tar.gz |
|---|---|
| Size | 9.6 kB |
| Tags | Source |
|
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Release files / unitcell-0.1.1-py3-none-any.whl
| Download URL | unitcell-0.1.1-py3-none-any.whl |
|---|---|
| Size | 8.2 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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Uploaded using Trusted Publishing? What is trusted publishing? |
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| Uploaded via |
twine/7.0.0 CPython/3.12.7
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