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made the command options more lammps standard style

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This commit is contained in:
Emile Maras
2017-06-02 23:42:16 +02:00
parent c904cfb8bc
commit e03cc99467
7 changed files with 67 additions and 46 deletions
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2
examples/neb/in.neb.hop1
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@ -51,7 +51,7 @@ set group nebatoms type 3
group nonneb subtract all nebatoms
fix 1 lower setforce 0.0 0.0 0.0
fix 2 nebatoms neb 1.0 neigh
fix 2 nebatoms neb 1.0 nudg_style idealpos
fix 3 all enforce2d
thermo 100

2
examples/neb/in.neb.hop1freeend
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@ -41,7 +41,7 @@ set group nebatoms type 3
group nonneb subtract all nebatoms
fix 1 lower setforce 0.0 0.0 0.0
fix 2 nebatoms neb 1.0 freeend ini
fix 2 nebatoms neb 1.0 nudg_style idealpos freeend ini
fix 3 all enforce2d
thermo 100

2
examples/neb/in.neb.hop2
View File

@ -53,7 +53,7 @@ set group nebatoms type 3
group nonneb subtract all nebatoms
fix 1 lower setforce 0.0 0.0 0.0
fix 2 nebatoms neb 1.0 neigh
fix 2 nebatoms neb 1.0
fix 3 all enforce2d
thermo 100

2
examples/neb/in.neb.sivac
View File

@ -66,7 +66,7 @@ minimize 1.0e-6 1.0e-4 1000 10000
reset_timestep 0
fix 1 all neb 1.0 neigh
fix 1 all neb 1.0
thermo 100