All notable changes to this project will be documented in this file.
- Enforce conventional commits on CI
- Add pull request template
- Q-Species Normalise Frequency (#1786)
- 1690 Molecularize CIF (#1792)
- 1791 Mugglify CIF Importer (#1799)
- 1620 Compare Module GUI Implementation (#1662)
- Fix Benchmarks After Conan Tidy (#1796)
- 1797 Setup After Restart Load (#1801)
- 1775 Serial Compilation (#1802)
- 1689 Root Elements in Generated NETA (#1803)
- Code Tidy January 2024 (#1784)
- Modify charge dialogs qml (#1787)
- Reinventing SiteRDF (#1778)
- Analysis Refactoring - Part 1 (#1789)
- Tidy CMake Presets (#1808)
- Fix Online Links (#1783)
- Update Compillation Docs for new test method (#1810)
- Update website release info (v1.4.3) (#1811)
- 1806 faster combinations (#1807)
- 1576 More CIF Unit Tests (#1804)
- Module Add Crash (#1773)
- Fix Benchmarks 2024 (#1764)
- Fix Benchmarks 2024 - FixUp (#1768)
- Develop 1.5 (#1774)
- Update website release info (v1.4.2) (#1780)
- Reinventing QSpecies (#1747)
- Update website release info (v1.4.1) (#1765)
- Disable arm64 build (#1757)
- Fix onetbb version (#1759)
- Link qt-idaaas nixpkgs version to our primary nixpkgs version (#1760)
- 1637 remove modules singleton (#1749)
- 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)
- 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)
- 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)
- 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)
- Just Tests - Part 1 (#1636)
- Just Tests - Part 2 (#1645)
- Beginning TOML Testing (#1678)
- Correctness testing with TOML (#1682)
- 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)