# -*-shell-script-*-
# MD code of BCC Mo. edge dislocation
#------------------------------------------------------------
#setnolog
setoverwrite
dirname = runs/CSD-book/chap3/moedge-view
#--------------------------------------------
#Read in potential file
#
#potfile = ~/Codes/MD++/mo_pot readpot
#------------------------------------------------------------
#Read in structure
#
#incnfile = ../moedge-300K/inter0050.cn readcn
incnfile = ../moedge-300K/inter0020.cn readcn
#------------------------------------------------------------
findcorespec = [ 2 1.5 10 ] #findcore #quit
#------------------------------------------------------------
#colors for Central symmetry view
color00 = "red" color01 = "blue" color02 = "green"
color03 = "magenta" color04 = "cyan" color05 = "purple"
color06 = "gray80"
#-------------------------------------------------------------
#
#Plot Configuration
#
atomradius = 1.0 bondradius = 0.3 bondlength = 0
atomcolor = cyan highlightcolor = purple backgroundcolor = gray
bondcolor = red fixatomcolor = yellow
hideatomenergy = [ 1 -6.725 -6 ]
#highlightenergy = [ 1 -6.725 ]
#plot_restrict = 1 plot_zmin = 0.4 plot_ymax = 0.5
#plot_restrict = 1 plot_ymin = 0
#plot_restrict = 1 plot_ymax = 0
plot_select = 3 plot_highlight = [ 0 0 1 2 3 4 5 6 7 8 9 ]
plotfreq = 10 
rotateangles = [ 0 0 0 1.2 ]
win_width = 600 win_height = 600
#openwin  reversergb alloccolors rotate saverot
#refreshnnlist eval
#plot
#sleep quit
#-------------------------------------------------------------
#(central symmetry)
coloraxis = 2
#refreshnnlist NCS = 8
#calcentralsymmetry writeall = 1 finalcnfile = topol.cn writecn #quit
#energyhistspec = [ 0 0 50 ] GnuPlotEnergyHistogram quit
color_window = [ 2
                 1.5  10  4
                 10   20  6
               ]
#plot
#sleep quit
#------------------------------------------------------------
#Find core
incnfile = ../moedge-300K/inter0001.cn readcn findcore
incnfile = ../moedge-300K/inter0002.cn readcn findcore
incnfile = ../moedge-300K/inter0003.cn readcn findcore
incnfile = ../moedge-300K/inter0004.cn readcn findcore
incnfile = ../moedge-300K/inter0005.cn readcn findcore
incnfile = ../moedge-300K/inter0006.cn readcn findcore
incnfile = ../moedge-300K/inter0007.cn readcn findcore
incnfile = ../moedge-300K/inter0008.cn readcn findcore
incnfile = ../moedge-300K/inter0009.cn readcn findcore
incnfile = ../moedge-300K/inter0010.cn readcn findcore
incnfile = ../moedge-300K/inter0011.cn readcn findcore
incnfile = ../moedge-300K/inter0012.cn readcn findcore
incnfile = ../moedge-300K/inter0013.cn readcn findcore
incnfile = ../moedge-300K/inter0014.cn readcn findcore
incnfile = ../moedge-300K/inter0015.cn readcn findcore
incnfile = ../moedge-300K/inter0016.cn readcn findcore
incnfile = ../moedge-300K/inter0017.cn readcn findcore
incnfile = ../moedge-300K/inter0018.cn readcn findcore
incnfile = ../moedge-300K/inter0019.cn readcn findcore
incnfile = ../moedge-300K/inter0020.cn readcn findcore
incnfile = ../moedge-300K/inter0021.cn readcn findcore
incnfile = ../moedge-300K/inter0022.cn readcn findcore
incnfile = ../moedge-300K/inter0023.cn readcn findcore
incnfile = ../moedge-300K/inter0024.cn readcn findcore
incnfile = ../moedge-300K/inter0025.cn readcn findcore
incnfile = ../moedge-300K/inter0026.cn readcn findcore
incnfile = ../moedge-300K/inter0027.cn readcn findcore
incnfile = ../moedge-300K/inter0028.cn readcn findcore
incnfile = ../moedge-300K/inter0029.cn readcn findcore
incnfile = ../moedge-300K/inter0030.cn readcn findcore
incnfile = ../moedge-300K/inter0031.cn readcn findcore
incnfile = ../moedge-300K/inter0032.cn readcn findcore
incnfile = ../moedge-300K/inter0033.cn readcn findcore
incnfile = ../moedge-300K/inter0034.cn readcn findcore
incnfile = ../moedge-300K/inter0035.cn readcn findcore
incnfile = ../moedge-300K/inter0036.cn readcn findcore
incnfile = ../moedge-300K/inter0037.cn readcn findcore
incnfile = ../moedge-300K/inter0038.cn readcn findcore
incnfile = ../moedge-300K/inter0039.cn readcn findcore
incnfile = ../moedge-300K/inter0040.cn readcn findcore
incnfile = ../moedge-300K/inter0041.cn readcn findcore
incnfile = ../moedge-300K/inter0042.cn readcn findcore
incnfile = ../moedge-300K/inter0043.cn readcn findcore
incnfile = ../moedge-300K/inter0044.cn readcn findcore
incnfile = ../moedge-300K/inter0045.cn readcn findcore
incnfile = ../moedge-300K/inter0046.cn readcn findcore
incnfile = ../moedge-300K/inter0047.cn readcn findcore
incnfile = ../moedge-300K/inter0048.cn readcn findcore
incnfile = ../moedge-300K/inter0049.cn readcn findcore
incnfile = ../moedge-300K/inter0050.cn readcn findcore
incnfile = ../moedge-300K/inter0051.cn readcn findcore
incnfile = ../moedge-300K/inter0052.cn readcn findcore
incnfile = ../moedge-300K/inter0053.cn readcn findcore
incnfile = ../moedge-300K/inter0054.cn readcn findcore
incnfile = ../moedge-300K/inter0055.cn readcn findcore
incnfile = ../moedge-300K/inter0056.cn readcn findcore
incnfile = ../moedge-300K/inter0057.cn readcn findcore
incnfile = ../moedge-300K/inter0058.cn readcn findcore
incnfile = ../moedge-300K/inter0059.cn readcn findcore
incnfile = ../moedge-300K/inter0060.cn readcn findcore
incnfile = ../moedge-300K/inter0061.cn readcn findcore
incnfile = ../moedge-300K/inter0062.cn readcn findcore
incnfile = ../moedge-300K/inter0063.cn readcn findcore
incnfile = ../moedge-300K/inter0064.cn readcn findcore
incnfile = ../moedge-300K/inter0065.cn readcn findcore
incnfile = ../moedge-300K/inter0066.cn readcn findcore
incnfile = ../moedge-300K/inter0067.cn readcn findcore
incnfile = ../moedge-300K/inter0068.cn readcn findcore
incnfile = ../moedge-300K/inter0069.cn readcn findcore
