Fix Path to MDTools Script discrete_hex.py
#136
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Fix the path to the MDTools script `discrete_hex.py` from `/scripts/structure/discrete_hex.py` to `scripts/discretization/discrete_hex`.
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bugfix
* Fix the clean up step which didn't moved the Slurm output file to the analysis directory because of a wrong file pattern. * Set the time limit of all Slurm jobs to one day. * Adjust the memory limit for `discrete-hex_OBT.sh` and `siscrete-hex_OE.sh`.
* Fix the clean up step which didn't moved the Slurm output file to the analysis directory because of a wrong file pattern. * Set the time limit of all Slurm jobs to one day.
…rces * Fix the clean up step which didn't moved the Slurm output file to the analysis directory because of a wrong file pattern. * Set the time limit of all Slurm jobs to one day.
* Fix the clean up step which didn't moved the Slurm output file to the analysis directory because of a wrong file pattern. * Set the time limit of all Slurm jobs to one day.
Fix the clean up step which didn't moved the Slurm output file to the analysis directory because of a wrong file pattern.
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Fix Path to MDTools Script
discrete_hex.pyType of Change
Proposed Changes
discrete_hex_*.sh:discrete_hex.pyfrom/scripts/structure/discrete_hex.pytoscripts/discretization/discrete_hex.cleanup_mdt_analyses.sh: Fix Typo in Cleanup of discrete-hexaxial_hex_dist_*nn_*.sh: Fix Cleanup and Update Requested Resourcescontact_hist_slab-z_Li-*.sh: Fix Cleanup and Update Requested Resourcesdensmap-z_*.sh: Fix Cleanup and Update Requested Resources*rdf_slab-z_*.sh: Fix CleanupPR Checklist