git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4639 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2010-09-01 00:38:59 +00:00
parent 0f145cd71b
commit 4cb99b91e2
5 changed files with 4297 additions and 0 deletions
--- a/examples/eim/in.eim
+++ b/examples/eim/in.eim
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+# NaCl test problem for embedded atom method (EIM) potential
+
+units		metal
+atom_style      atomic
+
+boundary	p p p
+
+lattice         diamond 5.0
+read_data       data.eim
+
+pair_style      eim
+pair_coeff      * * Na Cl ffield.eim Na Cl 
+
+neighbor	0.3 bin
+neigh_modify	delay 0
+
+timestep        0.001
+thermo_style    custom step pe pxx pyy pzz temp
+thermo          50
+
+velocity        all create 1400.0 43454 dist gaussian mom yes
+fix             int all npt temp 1400.0 300.0 0.1 aniso 0.0 0.0 0.1
+
+run             100