Author Topic: Error on AnalysisBar Add-on : singular primitive lattice vectors  (Read 50 times)

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Offline coraline

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Hi,
An error panel keeps showing up everytime I open QuantumATK, and the program just shut down if I try to open builder. The error message image is attached below.  The detail error message is:
[Exception message:
Traceback (most recent call last):
File "zipdir\NL\GUI\MainWindow\AnalysisBar\AnalysisBar.py", line 350, in labFloorChanged
File "C:\Program Files\QuantumATK\QuantumATK-Q-2019.12-SP1\Lib\site-packages\AddOns\OldAnalysisReplacement\InfoPanelPlugin.py", line 119, in labFloorChanged
self.setFromItems(items)
File "C:\Program Files\QuantumATK\QuantumATK-Q-2019.12-SP1\Lib\site-packages\AddOns\OldAnalysisReplacement\InfoPanelPlugin.py", line 134, in setFromItems
supported, info = digestItem(items[0], self.labFloor(), self.__formatter)
File "C:\Program Files\QuantumATK\QuantumATK-Q-2019.12-SP1\Lib\site-packages\AddOns\OldAnalysisReplacement\Digester.py", line 118, in digestItem
info = generateInfo(item, lab_floor_model, fingerprint, formatter)
File "C:\Program Files\QuantumATK\QuantumATK-Q-2019.12-SP1\Lib\site-packages\AddOns\OldAnalysisReplacement\Digester.py", line 191, in generateInfo
calculator_info = calculatorInfo(configuration)
File "C:\Program Files\QuantumATK\QuantumATK-Q-2019.12-SP1\Lib\site-packages\AddOns\OldAnalysisReplacement\Digester.py", line 262, in calculatorInfo
density_mesh_cutoff_info = densityMeshCutoffInfo(configuration)
File "C:\Program Files\QuantumATK\QuantumATK-Q-2019.12-SP1\Lib\site-packages\AddOns\OldAnalysisReplacement\Digester.py", line 315, in densityMeshCutoffInfo
ccp_configuration = setupConfiguration(configuration, 0.0)
File "zipdir\NL\CommonConcepts\Configurations\AtomicConfigurationUtilities.py", line 114, in setupConfiguration
File "zipdir\NL\CommonConcepts\Configurations\Utilities.py", line 298, in wrapConfiguration
File "zipdir\NL\CommonConcepts\Configurations\Utilities.py", line 358, in wrapConfigurationFractional
File "zipdir\NL\CommonConcepts\Configurations\Utilities.py", line 1185, in cartesianToleranceToFractional
File "zipdir\NL\CommonConcepts\Configurations\Utilities.py", line 1211, in cartesianToFractional
NL.ComputerScienceUtilities.Exceptions.NLValueError: The primitive lattice vectors are nearly singular. ]

It would be very helpful if I can know why I am having this error, and how to fix it.
Thank you very much