source: tests/regression/Options/Session/post/complextest.sh@ 90ece9

AutomationFragmentation_failures Candidate_v1.6.1 Candidate_v1.7.0 ChemicalSpaceEvaluator Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision stable
Last change on this file since 90ece9 was f47e00b, checked in by Frederik Heber <heber@…>, 12 years ago

FIX: SubgraphDissectionAction is now a MakroAction, fixed store-session.

  • store-session would skip the select-atoms part.
  • hence, now we just write SubgraphDissection() command to python script.
  • Property mode set to 100644
File size: 487 bytes
RevLine 
[893426]1../../molecuilder \
[f47e00b]2--verbose 2 --set-output "mpqc" "tremolo" --set-random-number-distribution "uniform_int" --random-number-distribution-parameters "p=1;" --change-box "20,0,20,0,0,20" --add-atom 1 --domain-position "1,1,1" --select-atom-by-id 0 0 --subgraph-dissection --select-atoms-molecules --fill-regular-grid --mesh-size 3 3 3 --mesh-offset "0.5,0.5,0.5" --min-distance 1 --tesselation-radius 0 --random-atom-displacement 0 --random-molecule-displacement 0 --DoRotate 0 --version
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