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remove the dependency of property num_atoms on the cube file content #65

Merged
merged 1 commit into from
Jul 12, 2024
Merged

remove the dependency of property num_atoms on the cube file content #65

merged 1 commit into from
Jul 12, 2024

Commits on Jul 12, 2024

  1. remove the dependency of property num_atoms on the cube file content 

    remove the dependency of property num_atoms on the cube file content.
When writing a new cube file, the num_atoms property is obtained from
self.stc which is ase Atoms object
    @robinzyb
    robinzyb committed Jul 12, 2024
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