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Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu does not survive multiple "kim interactions" commands #89

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ilia-nikiforov-umn opened this issue Aug 16, 2023 · 0 comments

ilia-nikiforov-umn commented Aug 16, 2023

This is a usual occurrence in ASE scripts. Can be fixed by deleting the loop variable that is defined in smspec.

ilia-nikiforov-umn mentioned this issue

fixed example LAMMPS SM #90

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