# -*-shell-script-*-
# Silicon on Gold
#------------------------------------------------------------
# Test MEAM potential
# Kuo, C.-L., Clancy, P.,  (Kuo04ss-AuSimeam.pdf)
#   MEAM molecular dynamics study of a gold thin film on a silicon substrate,
#   Surface Science, 551, 39-58 (2004).
#
# Chin-Lung Kuo and Paulette Clancy, (Kuo05msmse-AuSiOmeam.pdf)
#  Development of atomistic MEAM potentials for the silicon-oxygen-gold
#  ternary system, Modelling Simul. Mater. Sci. Eng. 13, 1309-1329 (2005).
#------------------------------------------------------------
setnolog
setoverwrite
dirname = runs/si_au_view/
#------------------------------------------------------------
#Read in MEAM potential
meamfile = "/home/caiwei/Codes/MD++/Fortran/MEAM-Baskes/meamf"
meafile  = "/home/caiwei/Codes/MD++/Fortran/MEAM-Baskes/meafile_Au_Si"
ntypes = 2  ename0 = "Sis  " ename1 = "Au2  " #leave spaces to be compatible with fortran
rcut = 6.0  kode0 = "library"
readMEAM
NNM = 200 NIC = 200
#
#------------------------------------------------------------
#Read in configuration file
incnfile = ../si_au_T1800_alpha03_surf/inter0010.cn readcn
#incnfile = ../si_au_T1800_alpha03/inter0010.cn readcn
#incnfile = ../si_au_T0900_alpha03_surf/inter0067.cn readcn
#incnfile = ../si_au_T0900_alpha03/inter0045.cn readcn
incnfile = ../si_au_rand_T0500/inter0009.cn readcn
#--------------------------------------------
#input = [1 9] convertCNtoCFG quit
#--------------------------------------------
# Plot Configuration
#
atomradius = [ 0.67 0.78 ] bondradius = 0.3 bondlength = 0 #2.8285 #for Si
win_width = 600 win_height = 400
atomradius = 0.9 bondradius = 0.3 bondlength = 0 #2.8285 #for Si
atomcolor = orange atomcolor1 = gray80 highlightcolor = purple  bondcolor = red
fixatomcolor = yellow backgroundcolor = gray70
color00 = "orange"  color01 = "purple" color02 = "green"
color03 = "magenta" color04 = "cyan"   color05 = "purple"
color06 = "gray80"  color07 = "white"
#plot_color_windows = [ 2
#                          -10 -3.8 0  #color00 = orange
#                          -3.8 10  1  #color01 = purple
#                     ]
plot_atom_info = 3 # energy of atoms
plotfreq = 10   plot_map_pbc = 1
rotateangles = [ 0 0 0 1.2 ]
openwin alloccolors rotate saverot refreshnnlist plot

atomeyepath = "/home/caiwei/Codes/MD++/Tools/AtomEye"
atomeyeexe = "A.i686" atomeye
sleep quit
#------------------------------------------------------------

quit
#-------------------------------------------------------------
