type=$2
fi
+if [ -z "$3" ]; then
+ trg="video"
+else
+ trg="video.*"
+fi
+
if [ "$type" != "disp" ]; then
-for i in $1/video*; do
+for i in $1/$trg; do
if [ -f $i/stdvis ]; then
echo "$i already visualized ..."
-nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
-b 0.0 0.0 0.0 1.0 1.0 1.0 \
-c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
- -r 0.6 -A 193 1.9
+ -r 0.6 -A 1 217 1.9
fi
# first unit cell in each direction without rotation displaying mirrored atoms
if [ "$type" = "1m" ]; then
echo "type: 1 no rotation, mirrored"
./visualize -w 640 -h 480 -d $i \
- -nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
+ -nll -0.20 -0.20 -0.20 -fur 1.20 1.20 1.20 \
+ -b 0.0 0.0 0.0 1.0 1.0 1.0 \
+ -c 0.3 -1.7 0.9 -L 0.5 -1.0 0.5 \
+ -r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 \
+ -A 1 216 2.6
+ #-A 1 217 2.6
+ #-c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
+fi
+
+# defect combination view 1
+if [ "$type" = "dc1" ]; then
+echo "type: defect combination 1, mirrored"
+./visualize -w 640 -h 480 -d $i \
+ -nll -0.20 -0.20 -0.80 -fur 1.20 1.20 1.20 \
+ -b 0.0 0.0 0.0 1.0 1.0 1.0 \
+ -c 0.3 -1.7 0.9 -L 0.5 -1.0 0.5 \
+ -r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 \
+ -A 2 217 218 2.6
+fi
+
+# first unit cell in each direction without rotation displaying mirrored atoms
+if [ "$type" = "x1y1z13" ]; then
+echo "type: x1y1z13, mirrored"
+./visualize -w 640 -h 480 -d $i \
+ -nll -0.20 -0.20 -1.20 -fur 1.20 1.20 1.20 \
+ -b 0.0 0.0 0.0 1.0 1.0 1.0 \
+ -c 0.3 -1.7 0.4 -L 0.5 -1.0 0 \
+ -r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 \
+ -A 1 217 2.6
+ #-A 2 109 217 2.6
+fi
+
+# first unit cell in each direction without rotation displaying mirrored atoms
+if [ "$type" = "1m2" ]; then
+echo "type: 1 no rotation, mirrored, displaying bonds of the 2 C atoms"
+./visualize -w 640 -h 480 -d $i \
+ -nll -0.20 -0.20 -0.20 -fur 1.20 1.20 1.20 \
+ -b 0.0 0.0 0.0 1.0 1.0 1.0 \
+ -c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
+ -r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 \
+ -A 2 217 218 2.6
+fi
+
+if [ "$type" = "1m2dv" ]; then
+echo "type: 1 no rotation, mirrored, displaying bonds of db and vac"
+./visualize -w 640 -h 480 -d $i \
+ -nll -0.20 -0.20 -0.20 -fur 1.20 1.20 1.20 \
-b 0.0 0.0 0.0 1.0 1.0 1.0 \
-c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
-r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 \
- -A 193 1.9
+ -A 2 215 216 2.6
fi
# three unit cells in each direction without rotation
-nll -0.20 -0.20 -0.20 -fur 3.20 3.20 3.20 \
-b 0.0 0.0 0.0 3.0 3.0 3.0 \
-c 2.3 -3.7 2.4 -L 1.5 -1.0 1.5 \
- -r 0.6
+ -r 0.6 -A 1 217 2.6
fi
# unti cell 3,0,2
if [ "$type" = "1rm" ]; then
echo "type: 1 rotated, mirrored"
./visualize -w 640 -h 480 -d $i \
- -nll -0.20 -0.20 -0.20 -fur 1.20 1.20 1.20 \
+ -nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
-b 0.0 0.0 0.0 1.0 1.0 1.0 \
-c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
-r 0.6 -m 2.0 -2.0 0.0 2.0 2.0 0.0 0.0 0.0 3.0 \
- -A 193 1.9
+ -A 1 193 1.9
fi
# three unit cells (rotated) in each direction displaying mirrored atoms
-r 0.6 -m 2.0 -2.0 0.0 2.0 2.0 0.0 0.0 0.0 3.0
fi
+# x: 2,3 y 3 z 1,2
+if [ "$type" = "x123y3z123" ]; then
+echo "type: x: 1,2,3 y 3 z 1,2,3"
+./visualize -w 640 -h 480 -d $i \
+ -nll -0.20 1.80 -0.20 -fur 3.20 3.20 3.20 \
+ -b 1.0 2.0 1.0 2.0 3.0 2.0 \
+ -c 1.8 -1.7 2.2 -L 1.6 2.5 1.7 \
+ -r 0.6 -A 1 217 2.6 \
+ -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0
+fi
+
./ppm2avi $i
done