gitlab.com / gims-developers/gims / commits
GIMS -- Graphical Interface for Materials Simulations -- is an open-source, browser-based toolbox for electronic structure codes. Try it here: [gims.ms1p.org](https://gims.ms1p.org)
| SHA | Message | Author | Date | Stats |
|---|---|---|---|---|
| 55b4c820 | Fix Python version in CI Windows installer | Andrei Sobolev <a****v@g****m> | about 1 month ago | |
| d2452b3b | Bump version | Andrei Sobolev <s****v@m****g> | about 1 month ago | |
| 8deb319c | Add changelog | Andrei Sobolev <s****v@m****g> | about 1 month ago | |
| 95e2e623 | merge Merge branch 'bz-viewer-fixes' into 'master' | Andrei Sobolev <a****v@g****m> | about 2 months ago | |
| cad34d97 | Fix building infrastructure | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 4d2ce60e | Updated building infrastructure | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 09639e50 | Slightly updated entry point | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| feea46a1 | merge Merge branch 'bz-viewer-fixes' into 'master' | Andrei Sobolev <a****v@g****m> | about 2 months ago | |
| 6b8c265b | Change material for constrained atoms | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| b72a5dec | Change default bonds visibility for the large structure | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 24da3d3e | Change supercell atoms limit to 100000 | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 1b2de3a2 | Add new InstancedMesh for constrained species | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 247bd5ee | Fix add/delete atoms from BasisAtoms | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 5f9ce17d | WIP: more atoms InstancedMesh rewrite | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 5b2f0ce0 | WIP: atoms InstancedMesh rewrite | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| a8307cfc | Brillouin zone viewer fixes | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| cc88b039 | merge Merge branch 'gims-output-fixes' into 'master' | Andrei Sobolev <a****v@g****m> | about 2 months ago | |
| a5ba7a6c | Added dashboard file | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 174b8e1a | Added dashboard to show MD values (T; E) | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 48a8145c | Added recommended defaults for the fields in ControlGenerator | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| f63be733 | Added accuracy object to Relaxation graph | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 621dd26e | Added accuracy object to Convergence graph | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| eab5d629 | Added settings as hidden form to graph | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 29d996c4 | Added the data download possibility | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 30c06d24 | merge Merge branch 'fhi-vibes-output' into 'master' | Andrei Sobolev <a****v@g****m> | about 2 months ago | |
| e3e400db | Added Raman and IR plotting | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 1614a797 | Fix bug with non-existing type | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 7314da6c | Fix bug with inclusion of invisible elements | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 33853520 | Enable animations for MD as well (#105) | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| abcf4bf5 | Widen controls a bit | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| aa6b0d81 | Fix bug with resizing canvas | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| e3447da2 | Add disclaimer to div with errors | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| eacadcee | Fix parsing file crashed at startup | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 9884edef | Add expand/collapse functionality on the structure viewer | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 8c415628 | Fix parsing errors from the output | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| aa8ad13a | Add files for animations control | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 6350d299 | Add animation control to OutputAnalyzer Structure viewer | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| acab9c48 | Add warnings to OutputAnalyzer as well | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 7f9111fe | Add errors to OutputAnalyzer | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| d325b091 | Add test for #107 | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 83902820 | Fix parsing non-converged MD_light output (#107) | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 4fca4d58 | Make chemical formula counts subscript | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 96eec558 | Retrofit pyfhiaims output parser | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| cb84ecf0 | Fix a bug with AtomRowTooltip pointing incorrectly | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 5fad546a | Pin setuptools to version < 81 | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 507cc440 | Try downgrade Python to 3.12 | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 4f689161 | merge Merge remote-tracking branch 'origin/master' | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 65a80a59 | One more take at the Docker image | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 4322c86b | merge Merge branch 'fhi-vibes' into 'master' | Andrei Sobolev <a****v@g****m> | about 2 months ago | |
| 62476945 | Update Docker backend image for dev version | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 2e3fc510 | merge Merge branch 'fhi-vibes' into 'master' | Andrei Sobolev <a****v@g****m> | about 2 months ago | |
| 12a0655d | Move Plotly back to v2 and update dependencies | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| de1f74d2 | Update StructureViewer to work with three v0.184 | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| db866e9d | Update dependencies | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 54c95cee | Add some tests for ControlGenerator | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 948d4b9a | Fixed bug in color setting | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 8ae0516b | Try to bypass ASE configuration in tests | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 2c134083 | Translate pyfhiaims output parser to JS | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 083e15d4 | Change CI Python version | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 0d6e2168 | Fix section label | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 10befea7 | Added README to the input files | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 20ce5daa | Seems that ASE does not autodetect exciting format in 3.26; update test | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 833d2ee6 | Added tests for FHIVibes input class | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| cb7a5e16 | Typing fixes | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 5fa04bb6 | Finish FHIVibes input class | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| e3dff401 | Change tests to run with ase 3.26; change used version to ase 3.26; change mi... | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 27d5aa7b | Remove stale code; fix linter bugs | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| d0673931 | Major refactoring of code inputs | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| f65b3a79 | Added FHIVibes class to backend | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 94fb5865 | Added two-level structure for form JSON to make building inputs easier | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 60444fdd | Re-set structure in updateForCode to run hooks | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 83d189c9 | Fix updateForCode; put workfow to form JSON | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 950f6128 | Fields added to control file generator | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 1e331faa | Default value bug fixed (still don't know what should be in the callback cont... | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 74be697b | Grouped fields added (for output polarization) | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 7e6271e6 | Add provisional Spectroscopy workflow icon | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 7bff3e0a | More fields for Spectroscopy workflow | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 515767ef | Change some fields to account for Spectroscopy workflow | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| ba49a4f8 | Adds constraints on Form sections | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| e865628c | Adds defaultChecksed and defaultValue on fields | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| 5c47465c | Adds spectroscopy workflow | Andrei Sobolev <s****v@m****g> | about 2 months ago | |
| b91e2ae5 | merge Merge branch 'ts-alkali' into 'master' | Andrei Sobolev <a****v@g****m> | 4 months ago | |
| ee1d6f9f | Update some typos | Andrei Sobolev <s****v@m****g> | 4 months ago | |
| 1739c11b | Add dealing with alkali+TS on the backend | Andrei Sobolev <s****v@m****g> | 4 months ago | |
| a115abe5 | Add warning about alkali+TS on the frontend | Andrei Sobolev <s****v@m****g> | 4 months ago | |
| 4a5c6a17 | Changed version tags | Andrei Sobolev <s****v@m****g> | 6 months ago | |
| 9e987187 | Changed the tag for Windows runners | Andrei Sobolev <s****v@m****g> | 6 months ago | |
| 965a5f20 | Updated the Changelog, bumped the version | Andrei Sobolev <s****v@m****g> | 6 months ago | |
| 560b989e | Update dependencies | Andrei Sobolev <s****v@m****g> | 6 months ago | |
| a1fb9e1d | Change icons import to explicit URL | Andrei Sobolev <s****v@m****g> | 6 months ago | |
| 9deef35a | move static-file-copy to normal dependencies | Andrei Sobolev <s****v@m****g> | 6 months ago | |
| 6cce90b0 | Explicitly copy all static files to nginx | Andrei Sobolev <s****v@m****g> | 7 months ago | |
| 157e35eb | Remove workflow CSS as it's not used now | Andrei Sobolev <s****v@m****g> | 7 months ago | |
| 19f8e537 | Update Docker image to use Node22 | Andrei Sobolev <s****v@m****g> | 7 months ago | |
| 7947756b | merge Merge branch '127-supercell-matrix' into 'master' | Andrey Sobolev <a****v@g****m> | 7 months ago | |
| 0c957621 | Added tests for supercell | Andrei Sobolev <s****v@m****g> | 7 months ago | |
| 28468f2e | Transpose supercell matrix | Andrei Sobolev <s****v@m****g> | 7 months ago | |
| f0bbcec9 | merge Merge branch 'sisso_workflow' into 'master' | Andrey Sobolev <a****v@g****m> | over 1 year ago | |
| fa9c9e43 | Bugs fixed | Andrey Sobolev <s****v@f****e> | over 1 year ago | |
| 7a10616b | Bugs fixed | Andrey Sobolev <s****v@f****e> | over 1 year ago |