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not sure what to do

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root 2019-06-27 09:39:08 +02:00
parent 9319b0bf77
commit 561bdaa879
1 changed files with 1 additions and 1 deletions
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crystal_met.py
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@ -82,7 +82,7 @@ def big_cell(na,nb,nc):
i[2] += c i[2] += c
for i in coords: for i in coords:
if i not in newCoords: if i not in newCoords:
if i[0] <= a and i[1] <= b and i[2] <= c: if i[0] < a and i[1] < b and i[2] < c:
newCoords.append(i) newCoords.append(i)
for i in newCoords: for i in newCoords: