# -*-shell-script-*-
# Dislocation dipole is introduced into Cu, one of FCC metals
# Then it is relaxed via conjugate gradient method.
setnolog
setoverwrite
dirname = runs/cu-example

#--------------------------------------------
#Read in potential file
potfile = "~/Codes/MD++/potentials/EAMDATA/eamdata.Cu" eamgrid=5000 readeam

#-----------------------------------------------------------
# Create Perfect Crystal Structure 
crystalstructure = face-centered-cubic latticeconst = 3.6030 # (A) for Cu 
latticesize = [ 1 0 0 4
                0 1 0 4
	        0 0 1 4 ]
makecrystal eval
#------------------------------------------------------------
#colors for Central symmetry view
color00 = "red" color01 = "blue" color02 = "green"
color03 = "magenta" color04 = "cyan" color05 = "purple"
color06 = "gray80" color07 = "white"
#Plot Configuration
atomradius = 0.9 bondradius = 0.3 bondlength = 0  
atomcolor = cyan highlightcolor = purple backgroundcolor = gray
bondcolor = red fixatomcolor = yellow
plotfreq = 10
rotateangles = [ 0 0 0 1.2 ]
win_width = 600 win_height = 600
#openwin alloccolors rotate saverot refreshnnlist
openwin alloccolors rotate saverot eval 
plot sleep quit

