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@srmnitc srmnitc released this Feb 19, 2020 · 9 commits to master since this release

2.3.4

bump version for release
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@srmnitc srmnitc released this Jan 20, 2020 · 22 commits to master since this release

This version introduces support for loading ASE Atoms object as an input source for pyscal System. Also provides bug fixes for better parsing of POSCAR files.

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@srmnitc srmnitc released this Jan 20, 2020 · 27 commits to master since this release

This version introduces support for loading ASE Atoms object as an input source for pyscal System. Also provides bug fixes for better parsing of POSCAR files.

Assets 2

@srmnitc srmnitc released this Dec 22, 2019 · 64 commits to master since this release

This release includes two major features -

  1. Addition of calculation for Short range order parameter for alloys
  2. Bug fix for Voronoi volume calculation which gives extremely large volumes for particles with negative coordinates on the cell edge.
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@srmnitc srmnitc released this Dec 3, 2019 · 78 commits to master since this release

This result incorporates cell lists in both brute force and adaptive neighbor methods which leads to an increase in speed for neighbor calculations.

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@srmnitc srmnitc released this Nov 7, 2019 · 100 commits to master since this release

This release contains further updates to the code including the ability to calculate solid atoms based on any q parameters, calculation of chi parameters and introduction of cell lists for improved speed in neighbor calculation.

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@srmnitc srmnitc released this Oct 29, 2019 · 130 commits to master since this release

2.0.1

bump version for release
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@srmnitc srmnitc released this Oct 2, 2019 · 240 commits to master since this release

Updated version with significant changes to Atom and System

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Sep 30, 2019
update pic

@srmnitc srmnitc released this Aug 3, 2019 · 420 commits to master since this release

create a separate file for documentation
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