https://github.com/zerothi/sisl
Revision 51a0825fba2210e1b1a432c94adabbc713715fd7 authored by Nick Papior on 14 March 2024, 12:05:36 UTC, committed by Nick Papior on 14 March 2024, 12:05:36 UTC
Fixed #708, in cases where the argument was a string and wasn't part of the Z-tables, then it saved a str as the Z value. It should *always* be an integer. Anything beyond the periodic table should be considered AtomUnknown/AtomGhost. Removed deprecated set_sc method in LatticeChild (due for 0.14). Fixed parsing HSX files due to it handling the Geometry.atoms wrongly, this was partly due to #708, but also a bug had sneaked in. Signed-off-by: Nick Papior <nickpapior@gmail.com>
1 parent c4550dc
Tip revision: 51a0825fba2210e1b1a432c94adabbc713715fd7 authored by Nick Papior on 14 March 2024, 12:05:36 UTC
lots of small updates/fixes
lots of small updates/fixes
Tip revision: 51a0825
| File | Mode | Size |
|---|---|---|
| .binder | ||
| .github | ||
| benchmarks | ||
| ci | ||
| data | ||
| developments | ||
| docs | ||
| examples | ||
| files @ f295142 | ||
| src | ||
| tools | ||
| .codecov.yml | -rw-r--r-- | 138 bytes |
| .git-blame-ignore-revs | -rw-r--r-- | 109 bytes |
| .git_archival.txt | -rw-r--r-- | 125 bytes |
| .gitattributes | -rw-r--r-- | 123 bytes |
| .gitignore | -rw-r--r-- | 231 bytes |
| .gitmodules | -rw-r--r-- | 83 bytes |
| .mailmap | -rw-r--r-- | 1.1 KB |
| .pre-commit-config.yaml | -rw-r--r-- | 1.1 KB |
| .readthedocs.yml | -rw-r--r-- | 226 bytes |
| CHANGELOG.md | -rw-r--r-- | 50.4 KB |
| CITATION.cff | -rw-r--r-- | 716 bytes |
| CMakeLists.txt | -rw-r--r-- | 20.6 KB |
| CODE_OF_CONDUCT.md | -rw-r--r-- | 5.4 KB |
| CONTRIBUTING.md | -rw-r--r-- | 3.1 KB |
| DEPLOY.md | -rw-r--r-- | 2.5 KB |
| LICENSE | -rw-r--r-- | 16.3 KB |
| MANIFEST.in | -rw-r--r-- | 573 bytes |
| README.md | -rw-r--r-- | 5.3 KB |
| pyproject.toml | -rw-r--r-- | 7.6 KB |
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