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Commit 8bc829c7 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
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change example inputs to be backward compatible

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examples/neb/in.neb.hop1
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...@@ -51,7 +51,7 @@ set group nebatoms type 3 ...@@ -51,7 +51,7 @@ set group nebatoms type 3
group nonneb subtract all nebatoms group nonneb subtract all nebatoms
fix 1 lower setforce 0.0 0.0 0.0 fix 1 lower setforce 0.0 0.0 0.0
fix 2 nebatoms neb 1.0 fix 2 nebatoms neb 1.0 neigh
fix 3 all enforce2d fix 3 all enforce2d
thermo 100 thermo 100
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examples/neb/in.neb.hop2
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View file @ 8bc829c7
...@@ -53,7 +53,7 @@ set group nebatoms type 3 ...@@ -53,7 +53,7 @@ set group nebatoms type 3
group nonneb subtract all nebatoms group nonneb subtract all nebatoms
fix 1 lower setforce 0.0 0.0 0.0 fix 1 lower setforce 0.0 0.0 0.0
fix 2 nebatoms neb 1.0 fix 2 nebatoms neb 1.0 neigh
fix 3 all enforce2d fix 3 all enforce2d
thermo 100 thermo 100
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examples/neb/in.neb.sivac
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− 1
View file @ 8bc829c7
...@@ -66,7 +66,7 @@ minimize 1.0e-6 1.0e-4 1000 10000 ...@@ -66,7 +66,7 @@ minimize 1.0e-6 1.0e-4 1000 10000
reset_timestep 0 reset_timestep 0
fix 1 all neb 1.0 fix 1 all neb 1.0 neigh
thermo 100 thermo 100
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