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Nexus: better handling of pseudopotentials in VASP #4330

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merged 5 commits into from
Nov 21, 2022

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jtkrogel
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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?

  • New feature

Does this introduce a breaking change?

  • No

What systems has this change been tested on?

Workstation

Checklist

  • Yes. This PR is up to date with current the current state of 'develop'

@ye-luo
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ye-luo commented Nov 21, 2022

Test this please

@prckent
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prckent commented Nov 21, 2022

Test this please

@ye-luo ye-luo merged commit e13bd41 into QMCPACK:develop Nov 21, 2022
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3 participants