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Typo in input files that crashes atomic density formula
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mala/descriptors/inputfiles/in.ggrid_defaultproc_n1.python

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -12,7 +12,7 @@ mass * 1.0
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# is this important? or does it just need to be big enough?
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variable radelem1 equal 0.5
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variable rcutneigh equal 2.0*${rcutfac}*${radelem}
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variable rcutneigh equal 2.0*${rcutfac}*${radelem1}
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pair_style zero ${rcutneigh}
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pair_coeff * *

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