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lines changed Original file line number Diff line number Diff line change @@ -24,7 +24,7 @@ The full list of changes is captured in the table below. If you have any questio
2424| Py-ChemShell/Tcl-ChemShell | Remove Py-ChemShell Version 23.0.3 (deprecated) |
2525| CP2K | Add Version 2026.1 <br /> Default changed to version 2025.2 (was 2024.3) |
2626| FHI-aims | Default changed to version 250822.0 (was 240920.0) <br /> Add version 250822.0 |
27- | GROMACS | Add version 2024.7 and version 2025.4 <br /> Default changed to Version 2025.4 |
27+ | GROMACS | Add version 2024.6 and version 2025.4 <br /> Default changed to Version 2025.4 |
2828| NAMD | Add Version 3.0.2 (and make default). Also add Version 3.0.2 (No SMP) and Version 3.0.2 (GPU) <br /> Remove Version 2.14 and Version 3.0 |
2929| NWChem | Removed from the list of supported software (current installed versions will remain available on ARCHER2) |
3030| ORCA | Make ORCA a supported package and install ORCA Version 6.1.0 (as default) |
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