Second git-cliff trial

Changelog.md

Changelog

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

[1.4.4] - 2024-03-11

🚜 Refactor

• Simulation data manager as QML TableView (#1809)
• Simulation data manager as QML TableView (#1809)

⚙️ Miscellaneous Tasks

• Enforce conventional commits on CI
• Add pull request template

[1.4.3] - 2024-03-11

🚀 Features

• Q-Species Normalise Frequency (#1786)
• 1690 Molecularize CIF (#1792)
• 1791 Mugglify CIF Importer (#1799)
• 1620 Compare Module GUI Implementation (#1662)

🐛 Bug Fixes

• Fix Benchmarks After Conan Tidy (#1796)
• 1797 Setup After Restart Load (#1801)
• 1775 Serial Compilation (#1802)
• 1689 Root Elements in Generated NETA (#1803)

🚜 Refactor

• Code Tidy January 2024 (#1784)
• Modify charge dialogs qml (#1787)
• Reinventing SiteRDF (#1778)
• Analysis Refactoring - Part 1 (#1789)
• Tidy CMake Presets (#1808)

📚 Documentation

• Fix Online Links (#1783)
• Update Compillation Docs for new test method (#1810)
• Update website release info (v1.4.3) (#1811)

⚡ Performance

• 1806 faster combinations (#1807)

🧪 Testing

• 1576 More CIF Unit Tests (#1804)

🔨️ Build Tools

• 1779 Upgrade GH Upload/Download (#1781)
• 1733 Auto Qt (#1772)
• Conan Deps (#1785)

[1.4.2] - 2024-03-11

🐛 Bug Fixes

• Module Add Crash (#1773)

🚜 Refactor

• 1637 dynamic keywords (#1766)
• Display qml scale charges dialog (#1763)

⚙️ Miscellaneous Tasks

• Fix Benchmarks 2024 (#1764)
• Fix Benchmarks 2024 - FixUp (#1768)
• Develop 1.5 (#1774)
• Update website release info (v1.4.2) (#1780)

🔨️ Build Tools

• Remove need for QC before build workflow (#1771)
• Build for Apple Silicon (#1743)

[1.4.1] - 2024-03-11

🚜 Refactor

• Reinventing QSpecies (#1747)

📚 Documentation

• Update website release info (v1.4.1) (#1765)

🔨️ Build Tools

• Disable arm64 build (#1757)
• Fix onetbb version (#1759)
• Link qt-idaaas nixpkgs version to our primary nixpkgs version (#1760)

Refctor

• 1637 remove modules singleton (#1749)

[1.4.0] - 2024-03-11

🚀 Features

• Species Viewer Context Menu (#1642)
• 1548 error range keyword (#1585)
• 1455 Orientational SDF (#1627)
• Setup of iteratedata1d (#1632)
• Overview Tab (#1639)
• Region Potentials (#1658)
• Overview Tab - Layers (#1659)
• Q-Species module setup (#1584)
• 1620 Compare Module and Data Source keyword (#1646)
• Beautify Overview (Part 1) (#1672)
• 1626 Icons 1.4 (#1698)
• 1710 default config populations (#1728)
• 1709 Enabled Buttons for Modules (#1732)
• 1718 Separate Interatomic Energy (#1736)
• 1299 Add CLI option for converting files to TOML (#1741)
• Size factor configuration and display (#1738)
• 1724 Enable loading of TOML files (#1742)
• Disable generate button when running (#1746)
• Drop AtomType, Master term count properties (#1713)

🐛 Bug Fixes

• Empty Expressions (#1640)
• Fix TOML testing framework (#1634)
• Fix Rotate Fragment Unit Test (#1588)
• Fix testing preset (#1663)
• Fixing Range Vector Keyword deserialisation (#1671)
• Fix for segmentation fault crash in import trajectory module (#1673)
• Fix import of node name when deserialising (#1680)
• EPSR Prune AtomTypes mk2 (#1684)
• Fix Add Forcefield Dialog (#1692)
• Energy module output graph misses torsions / impropers (#1691)
• Fix EPSR Toml parsing (#1694)
• Fix serialisation of Species Site with TOML (#1701)
• Elapsed Timer Fix- zero on each run, update status label (#1725)
• Fix ScatteringMatrix referencing (#1737)
• Actually assign intramolecular terms in add forcefield dialog (#1754)

🚜 Refactor

• IterateSelection procedure node setup (#1622)
• 1505 Generalise Parameter Access (#1647)
• EmpiricalFormula - The Next Generation (#1664)
• Refactor CIF Import (#1607)
• Procedure Context Fold (#1628)
• Reorganise CIF Import GUI, Molecular Supercell Generation & Configuration Outputs (#1679)
• Add EnumOption for SpeciesSite::SiteType (#1711)
• 1704 remove serializable pair potential (#1719)
• 1614 explicit toml context (#1715)
• 1425 Preamble text in options groups - Part 1 (#1730)
• 1087 toml checking boilerplate (#1722)
• Rework TOML backend (#1729)
• Tidy Up 1.4 (#1739)
• #1076 enable backward compatibility (#1740)

📚 Documentation

• Updated docs to include Benchmark, Compare, and Data Source keyword (#1670)
• Added docs for debugging with gdb (#1700)
• 1425 Preamble Text in Options Groups - Part 2 (#1731)
• 1511 docs 1.4 (#1751)
• Update website release info (v1.4.0) (#1758)

🧪 Testing

• Just Tests - Part 1 (#1636)
• Just Tests - Part 2 (#1645)
• Beginning TOML Testing (#1678)
• Correctness testing with TOML (#1682)

⚙️ Miscellaneous Tasks

• Created unit test for ranged error calculations (#1625)
• Add Qt Designer to DevShell (#1644)
• Conan & Benchmarks Workflow (#1649)
• Free up memory in GitHub runner (#1676)
• Windows docker setup (#1681)
• Updates to Docker resources (#1696)
• Upgrade TBB and ANTLR (#1714)
• Update copyright year in source (#1753)

🔨️ Build Tools

• Change to CMakeLists.txt to allow for arm64 builds (#1697)
• Fix Windows Packaging (#1748)