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Resolve "Fix initialization for species full Gaussian"

Heiko Appel requested to merge 668-fix-initialization-for-species-full-gaussian into main

Description

This MR fixes the initialization of spec%sigma for Species Full Gaussian.

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Checklist

  • I have checked that my code follows the Octopus coding standards
  • I have added tests for all the new features added in this request.

Closes #668 (closed)

Edited by Heiko Appel

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