documentation and examples

examples/PACKAGES/pod/Ta/in.pod

@@ -1,47 +0,0 @@
-# Demonstrate POD Ta potential
-
-# Initialize simulation
-
-variable nsteps index 100
-variable nrep equal 4
-variable a equal 3.316
-units           metal
-
-# generate the box and atom positions using a BCC lattice
-
-variable nx equal ${nrep}
-variable ny equal ${nrep}
-variable nz equal ${nrep}
-
-boundary        p p p
-
-lattice         bcc $a
-region          box block 0 ${nx} 0 ${ny} 0 ${nz}
-create_box      1 box
-create_atoms    1 box
-
-mass 1 180.88
-
-
-# POD potential
-pair_style pod
-pair_coeff * * Ta_param.pod Ta_coeff.pod Ta
-
-# Setup output
-
-thermo          10
-thermo_modify norm yes
-
-# Set up NVE run
-
-timestep 0.5e-3
-neighbor 1.0 bin
-neigh_modify once no every 1 delay 0 check yes
-
-# Run MD
-
-velocity all create 300.0 4928459 loop geom
-fix 1 all nve
-run             ${nsteps}
-
-