#!/bin/bash # to have the comments colored (this is not a bash file!)
#--------------------------------------------------------------------------------
#
#  DDPLOT - user settings
#
#  The commands are NOT case-sensitive. This file is read by the code upon
#  startup. If more different settings files are used, start the code as
#    ddplot -f .ddplot-mono
#  which reads the settings from file .ddplot-mono instead of from the default
#  .ddplot in the user's home directory.
#
#--------------------------------------------------------------------------------


# Width and height of the application window in pixels
WinSize, 1200, 900

# Zoom factor
ZoomFact, 1

# Plotting of atomic positions - either "relaxed" or "unrelaxed" configuration
# The displacements in the relaxed configuration are not scaled (real disp.)
# Example:  AtomPos, relaxed, 10
#           AtomPos, unrelaxed
#           AtomPos, composite, 5
AtomPos, unrelaxed

# Factor for scaling the displacements. If the parameter is a value greater than 
# one, the displacements are to be enlarged; if it is smaller than 1, the
# arrows will be shrunk. If you use AUTO, all displacements will be scaled such
# that the largest passes from one atom to another.
DScaleFact, 1

# Shortest arrow plotted [pixels]. If zero, all displacements will be plotted,
# no matter how they are small
Arrow.Shortest, 0
Arrow.Thickness, 1

# Coordinate system that corresponds to the data in the plot file. 
# The third axis is usually parallel to the Burgers vector, the other two
# are perpendicularly to each other.
CSys, -1,2,-1, -1,0,1, 1,1,1

# Projection vector in the Cartesian coordinate system [100], [010], [001]
ProjVector, 1, 1, 1

# Displacement component plotted (none, edge, screw)
#DispComponent, none
DispComponent, screw

# Print magnitudes of displacements
PrintMagDisp, off

# The different graphical appareance of atoms correspond to the 
# different layers (layer), types of atoms (type) or the number of
# neighbors of atoms (neigh) - see the settings Atom.*
ADistinguish, layer

# Print the numbers of atoms ?
AtomNumbers, off

# Associates the atomic names to the numbers in the plot file
AName, 1, Mo 
#AName, 1, Ga
#AName, 2, N

# Appearance of the atoms in each atomic layer - diameters and thicknesses of 
# the atoms [pixels] and colors. 
# Recognized are 19 names of colors: white, black, red, darkRed, green, 
# darkGreen, blue, darkBlue, cyan, darkCyan, magenta, darkMagenta, yellow, 
# darkYellow, gray, darkGray, lightGray.
# You can enter at least one and maximum 10 input parameters - if you give
# less entries than is the number of atomic layers, the parameters will
# be repeated from the beginning.
Atom.Diameter, 10, 10, 10
Atom.Thickness, 1
Atom.FGColor, black
Atom.BGColor, yellow, red, blue, green, magenta, black
Atom.3DSphere, on

# Plot traces of planes - 0 says no, any other number gives the angular step
# in degrees
PlaneTraces, 0

# The arrows will be plotted between the nearest neighbors specified here. For
# example, ArrNeighbors, 1, 2 means that the arrows will be plotted between the
# first also between the second nearest neighbors.
ArrNeighbors, 1

# Cut-off radius for seeking neighboring atoms. This is needed to calculate the RDF
# which can then be used to identify the pairs of atoms between which arrows have
# to be plotted.
NeighRCut, 5.0

# Correct the edge components in BCC blocks that are periodic along the z-direction
# so that the total edge component of the Burgers vector of the dislocation is zero
# (this is specific to screw dislocations in BCC crystals)
CorrEdgeCompBCC, off

# The atoms may not have exactly the same z-coordinates and yet we would like to 
# assign them to the same z-layer so that they are plotted with the same color. This
# option allows one to choose the maximum difference of the z-coordinates of atoms
# that are assigned to the same z-layer.
ZTolerance, .0001

# Some atoms in the "undeformed" configuration may be slightly displaced from perfect
# lattice positions, e.g. in HEA materials. In this case, we bin the neighbor distances
# into 1st, 2nd, ... neighbor bins. ddplot first collects all separations R(i) of
# atomic pairs (i=1,... how many different separations we have). Then checks whether
# there is |R(i)-R(j)| <= RTolDisorder for any different pairs i, j. If so, there is
# a slight disorder. For each separation R(i), it then stores how many neighbors there
# are within R(i)+/-RTolDisorder. It keeps only the six R(i) with the smallest number
# of neighbors and stores them in Rbnd(k=1...6); these correspond to boundaries between
# neighbor bins. The atomic pairs are then distributed into 5 neighbor bins whose
# boundaries are Rbnd: 1st neighbors in Rbnd(1)...Rbnd(2), 2nd neighbors in
# Rbnd(2)...Rbnd(3), etc. This parameter cannot be too large otherwise also separations
# of atoms determined by lattice periodicity are regarded as disorder.
RTolDisorder, 0.02

# Set on/off antialiasing of both graphical objects and text
Antialiase, on

# Set the background color
#BackgroundColor, red