Nexus: better handling of pseudopotentials in VASP#4330
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Test this please |
ye-luo
approved these changes
Nov 21, 2022
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Test this please |
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Proposed changes
Improve parsing of VASP pseudopotential file names and also set nelect by default. This is a small update.
What type(s) of changes does this code introduce?
Does this introduce a breaking change?
What systems has this change been tested on?
Workstation
Checklist