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Fix Bus Error with LLVMFlang#133

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marvinfriede merged 2 commits intodftd3:mainfrom
foxtran:patch-3
Mar 17, 2025
Merged

Fix Bus Error with LLVMFlang#133
marvinfriede merged 2 commits intodftd3:mainfrom
foxtran:patch-3

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@foxtran foxtran commented Mar 3, 2025

Inside of dftd3, there is no check that mol%lattice is not allocated. Therefore, compiler can do some extra optimization which may lead to strange behaviour.

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codecov bot commented Mar 3, 2025

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 67.07%. Comparing base (4e6f6e6) to head (2d7006c).
Report is 1 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #133   +/-   ##
=======================================
  Coverage   67.07%   67.07%           
=======================================
  Files          34       34           
  Lines        4687     4687           
  Branches     1647     1647           
=======================================
  Hits         3144     3144           
  Misses        632      632           
  Partials      911      911           

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Inside of dftd3, there is no check that mol%lattice is not allocated. Therefore, compiler can do some extra optimization which may lead to strange behaviour.
Comment thread test/unit/test_dftd3.f90 Outdated
@marvinfriede marvinfriede merged commit 395e2ff into dftd3:main Mar 17, 2025
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3 participants