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argon.data@ 8c6b68

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AutomationFragmentation_failures Candidate_v1.6.1 Candidate_v1.7.0 Candidate_v1.7.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization_continued 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 8c6b68 was ccb487, checked in by Frederik Heber <heber@…>, 14 years ago

TremoloParser now always writes current domain as "# Box ..." into file.

This is important, as format tremolo is essentially also a domain preserving type (i.e. tremolo reads Box from .data file).
TESTFIX: The following regression tests have a "' Box ..." line added to their .data files: Domain/RepeatBox, Filling/FillVoidWithMolecule, Molecules/Copy, Molecules/CreateMicelle, Parser/Tremolo-SetAtomdata.
FIX: Forgot to add testsuite-fill-void-with-tenside-molecule.at to Makefile.am

Property mode set to 100644

File size: 75 bytes

Rev	Line
[81c980b]	1	# ATOMDATA type x=3
[ccb487]	2	# Box 20 0 0 0 20 0 0 0 20
[81c980b]	3	Ar 4.72977 8 8
	4	Ar 7.3 8 8

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