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aiidateam / aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO
https://aiida-quantumespresso.readthedocs.io
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XPS: Fix inputs for molecules #1013

Closed mhdzbert closed 3 months ago

mhdzbert commented 4 months ago

If is a molecular structure:

superstar54 commented 3 months ago

@mhdzbert thanks for the PR. I fixed the error from pylint.

mhdzbert commented 3 months ago

Many thanks @superstar54

mhdzbert commented 3 months ago

Ok, thank you for correcting this.