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Changelog

All notable changes to this project will be documented in this file.

The format is based on Keep a Changelog. The functionality is contained in a binary compiled from a source code.

Input file format adheres to Semantic Versioning.
Command line options do not strictly follow semantic versioning, although breaking changes are not introduced unless necessary.
The source code API will not be versioned semantically until the software is also distributed as a static-linked C++ library (later, with Python bindings as well).

Unreleased

1.2.0 - 2023-12-03

Fixed

Corrected RAMSNAP format documentation.
Using --continue on a finished run without averaging phases no longer throws PreconditionException (#68).
Improved numerical stability of class optimize_cell. Before the fix, the minimal distance may have been determined incorrectly in selected cases.

Changed

Internal error reports now show a relative path of source location instead of an absolute one.
Documentation directory doc/ renamed to docs/ (needed for GitHub to recognize contributing.md).
Distance definition is now generalized to distance vector in binning types.
Shape functions can now be multivalued.
Class axis shape function can now also output all three components of the axis.

Added

Added global/local switch for class bond_order.
Added class s220 and class s221 correlation functions.
Added class linear binning type.
Added class q_tensor shape function.
Added class bin_averaged_function bulk observable.
Added print_count switch to class pair_density_correlation, class pair_averaged_correlation, class density_histogram, class probability_evolution and class bin_averaged_function observables.
Added normalization arguments to class density_histogram.
Added the source code walkthrough document.

1.1.0 - 2023-06-21

Fixed

Fixed typos in documentation and changelog.
Fixed corrupted observables' output file when --continue is used.

Added

Added v1 and latest tags.
Added MinGW support.
Added class randomize_rotation lattice transformer.

1.0.0 - 2023-06-18

This is the initial stable release of the simulation software.

Previous versions

During the development stage (0.x versions) no changelog was maintained. The changes can be inferred from git history.

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