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lines changed Original file line number Diff line number Diff line change @@ -10,6 +10,7 @@ units lj
1010dimension 3
1111atom_style atomic
1212boundary p p p
13+
1314# 2) System definition
1415region simbox block -20 20 -20 20 -20 20
1516create_box 2 simbox
Original file line number Diff line number Diff line change @@ -13,7 +13,10 @@ breakable.data
1313# 2) support files
1414CH.airebo
1515
16- # 3) solution files
16+ # 3) extra files
17+ unbreakable-yaml-reader.py
18+
19+ # 4) solution files
1720# only downloaded on request
1821solution/unbreakable.lmp
1922solution/unbreakable.data
@@ -23,6 +26,7 @@ solution/unbreakable.inc
2326solution/unbreakable.png
2427solution/unbreakable.dat
2528solution/unbreakable-yaml-reader.py
29+ solution/CH.airebo
2630solution/breakable.lmp
2731solution/breakable.data
2832solution/breakable.yaml
@@ -32,6 +36,4 @@ solution/breakable.dat
3236solution/breakable-yaml-reader.py
3337solution/breakable-with-tip.lmp
3438
35- # 4) extra files
36- unbreakable-yaml-reader.py
3739
Original file line number Diff line number Diff line change @@ -18,9 +18,6 @@ solution/parameters.inc
1818solution/create.data
1919solution/create.lmp
2020solution/create.log
21- solution/minimize.data
22- solution/minimize.lmp
23- solution/minimize.log
2421solution/equilibrate.data
2522solution/equilibrate.lmp
2623solution/equilibrate.log
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