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Merge pull request #153 from andthum/ref/analysis/lintf2-ether/mdt/cl…
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Refactor Cleanup of `lig_change_at_pos_change*` Analyses
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andthum authored Dec 21, 2023
2 parents 98a916a + 64726ad commit b8e45e0
Showing 1 changed file with 7 additions and 3 deletions.
10 changes: 7 additions & 3 deletions analysis/lintf2_ether/mdt/.cleanup_mdt_analyses.sh
Original file line number Diff line number Diff line change
Expand Up @@ -131,12 +131,16 @@ gather "subvolume_charge"

gather_cmps "attribute_hist" "Li NBT OBT OE NTf2 ether"
gather_cmps "densmap-z" "Li NBT OBT OE NTf2 ether"
gather_cmps "lig_change_at_pos_change_blocks_hist" "Li-OBT Li-OE"
gather_cmps "lig_change_at_pos_change_blocks" "Li-OBT Li-OE"
gather_cmps "lig_change_at_pos_change" "Li-OBT Li-OE"
gather_cmps "renewal_events" "Li-ether Li-NTf2"
gather_cmps "topo_map" "Li-OBT Li-OE"

gather_dirs "lig_change_at_pos_change_blocks_hist_Li-OBT"
gather_dirs "lig_change_at_pos_change_blocks_hist_Li-OE"
gather_dirs "lig_change_at_pos_change_blocks_Li-OBT"
gather_dirs "lig_change_at_pos_change_blocks_Li-OE"
gather_dirs "lig_change_at_pos_change_Li-OBT"
gather_dirs "lig_change_at_pos_change_Li-OE"

gather_cmps "axial_hex_dist_1nn" "Li NBT OBT OE"
gather_cmps "axial_hex_dist_2nn" "Li NBT OBT OE"
gather_dirs "axial_hex_dist"
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