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Cutoff radius larger than half box length allowed in GCMC #98

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GarrettLong opened this issue Jun 27, 2018 · 1 comment
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Cutoff radius larger than half box length allowed in GCMC #98

GarrettLong opened this issue Jun 27, 2018 · 1 comment
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GarrettLong commented Jun 27, 2018 •
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While testing GCMC, simulations were allowed to proceed with a cutoff radius of 10 angstroms while the simulation (BOX0) box length was anywhere from 10 to 18 angstroms, with no warning printed or error thrown. The reservoir box length was 20 angstroms, which may have had something to do with it.

Example input files are on the TransitionMatrix branch in the /Confirmation_Results/Water_SPCE/Water_Inputs directory, as well as attached below.
Water_Inputs.zip
msoroush added a commit that referenced this issue Jul 20, 2018
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Fix to the issue #98.
50c1348
msoroush added a commit that referenced this issue Jul 20, 2018
@msoroush
Error Checking to make sure all cellBasisVectors are defined. Fix to …
f43517c 
…the error #98
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msoroush commented Mar 4, 2019

Error checking is implemented in GOMC 2.40

@msoroush msoroush closed this as completed Mar 4, 2019
@YounesN YounesN mentioned this issue Jan 21, 2020
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