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Published August 23, 2024 | Version 2024.8.23
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molssi-seamm/read_structure_step: Enhancements to directory handling

  • 1. @MolSSI
  • 2. University of Notre Dame

Description

  • Changed the handling of paths to make them relative to the directory that the step is running in. In a loop, for instance, files are relative to the iteration directory.
  • When reading files, allow the syntax 'job:///...' to read files from another job. If the job number is omitted, so the prefix is 'job:///...', the top directory of the current job is used.

Files

molssi-seamm/read_structure_step-2024.8.23.zip

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