4 echo "specify a directory ..."
20 if [ "$type" != "disp" ]; then
24 if [ -f $i/stdvis ]; then
25 echo "$i already visualized ..."
31 # first unit cell in each direction without rotation
32 if [ "$type" = "default" -o "$type" = "1" ]; then
33 echo "type: 1 no rotation"
34 ./visualize -w 640 -h 480 -d $i \
35 -nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
36 -b 0.0 0.0 0.0 1.0 1.0 1.0 \
37 -c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
41 # first unit cell in each direction without rotation displaying mirrored atoms
42 if [ "$type" = "1m" ]; then
43 echo "type: 1 no rotation, mirrored"
44 ./visualize -w 640 -h 480 -d $i \
45 -nll -0.20 -0.20 -0.20 -fur 1.20 1.20 1.20 \
46 -b 0.0 0.0 0.0 1.0 1.0 1.0 \
47 -c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
48 -r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 \
52 # first unit cell in each direction without rotation displaying mirrored atoms
53 if [ "$type" = "1m2" ]; then
54 echo "type: 1 no rotation, mirrored, displaying bonds of the 2 C atoms"
55 ./visualize -w 640 -h 480 -d $i \
56 -nll -0.20 -0.20 -0.20 -fur 1.20 1.20 1.20 \
57 -b 0.0 0.0 0.0 1.0 1.0 1.0 \
58 -c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
59 -r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 \
63 # three unit cells in each direction without rotation
64 if [ "$type" = "3" ]; then
65 echo "type: 3 no rotation"
66 ./visualize -w 640 -h 480 -d $i \
67 -nll -0.20 -0.20 -0.20 -fur 3.20 3.20 3.20 \
68 -b 0.0 0.0 0.0 3.0 3.0 3.0 \
69 -c 2.3 -3.7 2.4 -L 1.5 -1.0 1.5 \
74 if [ "$type" = "3x2z" ]; then
75 echo "type: 3x2z no rotation"
76 ./visualize -w 640 -h 480 -d $i \
77 -nll 1.8 -0.2 0.8 -fur 3.20 1.20 2.20 \
78 -b 2.0 0.0 1.0 3.0 1.0 2.0 \
79 -c 2.3 -3.7 2.4 -L 1.5 -1.0 1.5 \
83 # first unit cell rotated by 45 degrees about z-axis
84 if [ "$type" = "1r" ]; then
85 echo "type: 1 rotated"
86 ./visualize -w 640 -h 480 -d $i \
87 -nll -0.20 -0.70 -0.20 -fur 2.00 0.70 1.20 \
88 -c -0.5 -1.5 0.9 -L 1.0 0.0 0.5 \
90 #-b 0.0 0.0 0.0 0.0 0.0 1.0 \
93 # first unit cell rotated by 45 degrees displaying mirrored atoms
94 if [ "$type" = "1rm" ]; then
95 echo "type: 1 rotated, mirrored"
96 ./visualize -w 640 -h 480 -d $i \
97 -nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
98 -b 0.0 0.0 0.0 1.0 1.0 1.0 \
99 -c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
100 -r 0.6 -m 2.0 -2.0 0.0 2.0 2.0 0.0 0.0 0.0 3.0 \
104 # three unit cells (rotated) in each direction displaying mirrored atoms
105 if [ "$type" = "3rm" ]; then
106 echo "type: 3 roted, mirrored"
107 ./visualize -w 640 -h 480 -d $i \
108 -nll -0.20 -0.20 -0.20 -fur 3.20 3.20 3.20 \
109 -b 0.0 0.0 0.0 3.0 3.0 3.0 \
110 -c 1.3 -3.7 2.4 -L 1.5 -1.0 1.5 \
111 -r 0.6 -m 2.0 -2.0 0.0 2.0 2.0 0.0 0.0 0.0 3.0
120 # 100 db in type 1 sc (insdide sc)
121 for i in $1/video/atomic_conf_*.xyz; do
122 displace=`echo $i | awk -F_ '{ print $7 }' | sed 's/\.xyz//'`
123 echo "$i $displace ..."
124 ./visualize -w 640 -h 480 -d $i \
125 -nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
126 -b 0.0 0.0 0.0 1.0 1.0 1.0 \
127 -c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
128 -r 0.6 -B 0.1 -D $displace -m 2.0 -2.0 0.0 2.0 2.0 0.0 0.0 0.0 3.0
133 #mplayer $1/video/md.avi