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give possibility of setting log_file in LAMMPS #488

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merged 2 commits into from
Jan 6, 2022
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samwaseda
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I really BADLY need this feature because for technical reasons for my metadynamics calculations I have to set thermo 1, which would destroy the file server.

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coveralls commented Dec 24, 2021

Pull Request Test Coverage Report for Build 1631272060

  • 1 of 4 (25.0%) changed or added relevant lines in 1 file are covered.
  • No unchanged relevant lines lost coverage.
  • Overall coverage decreased (-0.002%) to 70.082%

Changes Missing Coverage Covered Lines Changed/Added Lines %
pyiron_atomistics/lammps/interactive.py 1 4 25.0%
Totals Coverage Status
Change from base Build 1626576430: -0.002%
Covered Lines: 11572
Relevant Lines: 16512

💛 - Coveralls

@samwaseda samwaseda merged commit e297aa8 into master Jan 6, 2022
@delete-merged-branch delete-merged-branch bot deleted the lmp_logfile branch January 6, 2022 07:00
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2 participants