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Commit 5c934cdb authored by Rene Halver's avatar Rene Halver
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fixed examples to work with charged molecular restriction and new kspace call format

parent 407708dc
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...@@ -15,11 +15,11 @@ ...@@ -15,11 +15,11 @@
Atoms Atoms
1 1 1 1.0 0.0 0.0 0.0 1 1 1.0 0.0 0.0 0.0
2 1 2 -1.0 1.0 0.0 0.0 2 2 -1.0 1.0 0.0 0.0
3 1 2 -1.0 0.0 1.0 0.0 3 2 -1.0 0.0 1.0 0.0
4 1 1 1.0 1.0 1.0 0.0 4 1 1.0 1.0 1.0 0.0
5 1 2 -1.0 0.0 0.0 1.0 5 2 -1.0 0.0 0.0 1.0
6 1 1 1.0 1.0 0.0 1.0 6 1 1.0 1.0 0.0 1.0
7 1 1 1.0 0.0 1.0 1.0 7 1 1.0 0.0 1.0 1.0
8 1 2 -1.0 1.0 1.0 1.0 8 2 -1.0 1.0 1.0 1.0
...@@ -28,7 +28,8 @@ pair_coeff * * ...@@ -28,7 +28,8 @@ pair_coeff * *
#fix 2 all scafacos p3m tolerance field 0.001 #fix 2 all scafacos p3m tolerance field 0.001
kspace_style scafacos p3m tolerance field 0.001 kspace_style scafacos p3m 0.001
kspace_style scafacos tolerance field
timestep 0.005 timestep 0.005
thermo 10 thermo 10
......
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