4 echo "specify a directory ..."
14 if [ "$type" != "disp" ]; then
16 for i in $1/video*; do
19 # first unit cell in each direction without rotation
20 if [ "$type" = "default" -o "$type" = "1" ]; then
21 echo "type: 1 no rotation"
22 ./visualize -w 640 -h 480 -d $i \
23 -nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
24 -b 0.0 0.0 0.0 1.0 1.0 1.0 \
25 -c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
29 # first unit cell in each direction without rotation displaying mirrored atoms
30 if [ "$type" = "1m" ]; then
31 echo "type: 1 no rotation, mirrored"
32 ./visualize -w 640 -h 480 -d $i \
33 -nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
34 -b 0.0 0.0 0.0 1.0 1.0 1.0 \
35 -c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
36 -r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0
39 # three unit cells in each direction without rotation
40 if [ "$type" = "3" ]; then
41 echo "type: 3 no rotation"
42 ./visualize -w 640 -h 480 -d $i \
43 -nll -0.20 -0.20 -0.20 -fur 3.20 3.20 3.20 \
44 -b 0.0 0.0 0.0 3.0 3.0 3.0 \
45 -c 2.3 -3.7 2.4 -L 1.5 -1.0 1.5 \
50 if [ "$type" = "3x2z" ]; then
51 echo "type: 3x2z no rotation"
52 ./visualize -w 640 -h 480 -d $i \
53 -nll 1.8 -0.2 0.8 -fur 3.20 1.20 2.20 \
54 -b 2.0 0.0 1.0 3.0 1.0 2.0 \
55 -c 2.3 -3.7 2.4 -L 1.5 -1.0 1.5 \
59 # first unit cell rotated by 45 degrees about z-axis
60 if [ "$type" = "1r" ]; then
61 echo "type: 1 rotated"
62 ./visualize -w 640 -h 480 -d $i \
63 -nll -0.20 -0.70 -0.20 -fur 2.00 0.70 1.20 \
64 -c -0.5 -1.5 0.9 -L 1.0 0.0 0.5 \
66 #-b 0.0 0.0 0.0 0.0 0.0 1.0 \
69 # first unit cell rotated by 45 degrees displaying mirrored atoms
70 if [ "$type" = "1rm" ]; then
71 echo "type: 1 rotated, mirrored"
72 ./visualize -w 640 -h 480 -d $i \
73 -nll -0.20 -0.20 -0.20 -fur 1.20 1.20 1.20 \
74 -b 0.0 0.0 0.0 1.0 1.0 1.0 \
75 -c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
76 -r 0.6 -m 2.0 -2.0 0.0 2.0 2.0 0.0 0.0 0.0 3.0 \
80 # three unit cells (rotated) in each direction displaying mirrored atoms
81 if [ "$type" = "3rm" ]; then
82 echo "type: 3 roted, mirrored"
83 ./visualize -w 640 -h 480 -d $i \
84 -nll -0.20 -0.20 -0.20 -fur 3.20 3.20 3.20 \
85 -b 0.0 0.0 0.0 3.0 3.0 3.0 \
86 -c 1.3 -3.7 2.4 -L 1.5 -1.0 1.5 \
87 -r 0.6 -m 2.0 -2.0 0.0 2.0 2.0 0.0 0.0 0.0 3.0
96 # 100 db in type 1 sc (insdide sc)
97 for i in $1/video/atomic_conf_*.xyz; do
98 displace=`echo $i | awk -F_ '{ print $7 }' | sed 's/\.xyz//'`
99 echo "$i $displace ..."
100 ./visualize -w 640 -h 480 -d $i \
101 -nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
102 -b 0.0 0.0 0.0 1.0 1.0 1.0 \
103 -c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
104 -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
109 #mplayer $1/video/md.avi