AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
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Last change
on this file since 038ccd was a8ae6d, checked in by Frederik Heber <heber@…>, 13 years ago |
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TESTFIX: Separated regression test Analysis/DipoleAngularCorrelation.
- now parts explicitly tests whether periodic boundaries are working correctly
while the other has molecules entirely within its domain and boundary
conditions are of no importance.
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-
Property mode
set to
100644
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File size:
80 bytes
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| 1 | BinStart BinCenter BinEnd FirstAtomOfMolecule
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| 2 | 59.912167 0 0 O1,(0.041,0,-0.073)
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