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[submit_mdt_analyses_lintf2_ether.py]: Submit msd_layer* With Bulk
Submit the `msd_layer*` together with all other bulk scripts (`--scritps 1`), because the issue that has prevented the `msd_layer*` scripts to work on bulk simulations has been fixed (see andthum/mdtools#181).
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analysis/lintf2_ether/mdt/submit_mdt_analyses_lintf2_ether.py

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@@ -43,13 +43,7 @@
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scripts that analyze only a part, e.g. a slab, of the
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system, but still include anisotropic analyses, e.g.
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spatially discretized analyses). Note that all
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lig_change_at_pos_change* scripts and all msd_layer*
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scripts are excluded. The msd_layer* scripts are
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excluded, because msd_layer_serial.py (and
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msd_layer_parallel.py) must first be fixed for
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simulations with periodic boundary conditions in the
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discretized direction (see MDTools Issue
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`#98 <https://github.com/andthum/mdtools/issues/98>`_).
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lig_change_at_pos_change* scripts are excluded.
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:2: All scripts analyzing a slab in xy plane.
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:3: discrete-z_Li and discrete-z_Li_state_lifetime_discrete.
@@ -614,8 +608,8 @@ def _submit(sbatch_opts, job_script):
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" 1 = All scripts analyzing the bulk system (i.e. exclude scripts"
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" that analyze only a part, e.g. a slab, of the system, but still"
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" include anisotropic analyses, e.g. spatially discretized"
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" analyses). Note that all lig_change_at_pos_change* scripts and"
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" all msd_layer* are excluded."
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" analyses). Note that all lig_change_at_pos_change* scripts are"
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" excluded."
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" 2 = All scripts analyzing a slab in xy plane."
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""
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" 3 = discrete-z_Li and discrete-z_Li_state_lifetime_discrete."
@@ -1421,12 +1415,8 @@ def _submit(sbatch_opts, job_script):
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"axial_hex_dist" in batch_script
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or "contact_hist_slab-z" in batch_script
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or "discrete-hex" in batch_script
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or "msd_layer" in batch_script
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):
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# Only bulk scripts.
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# msd_layer_serial.py (and msd_layer_parallel.py) must
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# first be fixed for simulations with periodic boundary
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# conditions in the discretized direction.
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continue
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if batch_script in (
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"create_mda_universe",

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