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Merge pull request #30 from ltimmerman3/master
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alchem0x2A authored Aug 17, 2023
2 parents f17fd70 + 7ceb4f2 commit 51bd171
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Expand Up @@ -158,6 +158,7 @@ import sparc
from ase.io import read, write
atoms = read("test.sparc", index=-1)
```
*Note*: To read multiple output files from the same directory, e.g., SPARC.aimd, SPARC.aimd\_01, pass the keyword argument `include_all_files=True` to `read()`

- Writing a minimal SPARC bundle from atoms

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