https://github.com/ocbe-uio/trajpy - Trajpy 1.4.3

What's Changed

• Added support for parsing LAMMPS yaml files (partially addressing issue #109 Expand supported file formats):
• Add type hints Issue #113 by @wpendl99 in https://github.com/ocbe-uio/trajpy/pull/115

New Contributors

• @wpendl99 made their first contribution in https://github.com/ocbe-uio/trajpy/pull/115

Full Changelog: https://github.com/ocbe-uio/trajpy/compare/v1.4.2...v1.4.3

- Python
Published by phydev over 2 years ago

https://github.com/ocbe-uio/trajpy - TrajPy v1.4.2 - GUI with new feature!

We are releasing a new feature for the Graphic User Interface (GUI) allowing users to process several files at once.

• Request from Issue #40 delivered

Full Changelog: https://github.com/ocbe-uio/trajpy/compare/v1.4.1...v1.4.2

- Python
Published by phydev almost 3 years ago

https://github.com/ocbe-uio/trajpy - Trajpy v1.4.1

Minor update for making requirements more flexible accepting newer scipy versions.

- Python
Published by phydev about 3 years ago

https://github.com/ocbe-uio/trajpy - Trajpy v1.4.0

What's Changed

• Green kubo by @EduardoHenriqueMossmann in https://github.com/ocbe-uio/trajpy/pull/65
• Update documentation by @phydev in https://github.com/ocbe-uio/trajpy/pull/88
• Merging Green-Kubo with master by @phydev in https://github.com/ocbe-uio/trajpy/pull/89
• Green kubo by @EduardoHenriqueMossmann in https://github.com/ocbe-uio/trajpy/pull/103

New Contributors

• @EduardoHenriqueMossmann made their first contribution in https://github.com/ocbe-uio/trajpy/pull/65

Full Changelog: https://github.com/ocbe-uio/trajpy/compare/1.3.1...v1.4.0

- Python
Published by phydev about 3 years ago

https://github.com/ocbe-uio/trajpy - TrajPy 1.3.1

We introduced the unfold function from the book "Computer Simulation of Liquids" in the trajectory initialization for periodic boundary conditions.

- Python
Published by phydev over 5 years ago

https://github.com/ocbe-uio/trajpy - TrajPy 1.3.0

• Kurtosis now is computed as a function of the projection of the trajectory along the principal axis.
• Diffusivity was removed from the set of features computed in the function compute_features() because the expression implemented is only meant to be used for normal diffusion. In the next versions we expect to implement Green-Kubo relation to compute diffusivity for every kind of trajectory. Since trappedness is calculated based on the diffusivity, we also removed from the standard set of features.

- Python
Published by phydev over 5 years ago

https://github.com/ocbe-uio/trajpy - TrajPy 1.2.1

This version brings a new Graphic User Interface, still in alpha version.

- Python
Published by phydev almost 6 years ago

https://github.com/ocbe-uio/trajpy - TrajPy 1.1.1

The functions anisotropy and asymmetry only works properly if the eigenvalues are sorted by the descending order. Previous results obtained by the older versions of trajpy for anisotropy and asymmetry are therefore wrong. Please update to the last version.

- Python
Published by phydev almost 6 years ago

https://github.com/ocbe-uio/trajpy - every feature implemented in 3D (PyPI version)

We implemented every feature for analysing 3D systems. This is the same version available in PyPi.

- Python
Published by phydev about 6 years ago

https://github.com/ocbe-uio/trajpy - stable v1.0.0

In this release of TrajPy we have implemented the main functions for trajectory characterization.

- Python
Published by phydev over 6 years ago