add a couple of simple example single/multi-elment inputs for meam/spline pair styles

2017-05-09 15:51:59 -04:00
parent 390ceb1475
commit d0da0639f0
8 changed files with 979 additions and 0 deletions
--- a/examples/USER/misc/meam_spline/in.meam-spline.Si
+++ b/examples/USER/misc/meam_spline/in.meam-spline.Si
@ -0,0 +1,22 @@
+# Si fcc phase
+
+units		metal
+boundary	p p p
+
+atom_style	atomic
+lattice		fcc 3.98
+region		box block 0 5 0 5 0 5
+create_box		1 box
+create_atoms	1 box
+
+pair_style      meam/spline
+pair_coeff      * * Si_1.meam.spline Si
+mass            * 28.085
+
+velocity        all create 500.0 44226611
+
+fix             1 all nvt temp 500.0 500.0 1.0
+
+thermo          50
+run             500
+