X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=vasp_tools%2Fstdvis;h=c108a8d6b53c9687b4465b1dfa6f0d91594650ac;hb=35c146f98c24f0a72a3c6f06f2f6a1a776c26f69;hp=ceb7e1a10d0e8307ae90eae3598417c074a0fdf4;hpb=a971048b5d4f6da8806256ae25800ac9d55c9724;p=physik%2Fposic.git

diff --git a/vasp_tools/stdvis b/vasp_tools/stdvis
index ceb7e1a..c108a8d 100755
--- a/vasp_tools/stdvis
+++ b/vasp_tools/stdvis
@@ -11,17 +11,36 @@ else
 	type=$2
 fi
 
+if [ "$type" != "disp" ]; then
+
 for i in $1/video*; do
 
+	if [ -f $i/stdvis ]; then
+		echo "$i already visualized ..."
+		continue
+	else
+		touch $i/stdvis
+	fi
 
 # first unit cell in each direction without rotation
 if [ "$type" = "default" -o "$type" = "1" ]; then
 echo "type: 1 no rotation"
 ./visualize -w 640 -h 480 -d $i \
-	-nll -0.20 -0.20 -0.20 -fur 1.20 1.20 1.20 \
+	-nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
 	-b 0.0 0.0 0.0 1.0 1.0 1.0 \
 	-c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
-	-r 0.6
+	-r 0.6 -A 193 1.9
+fi
+
+# first unit cell in each direction without rotation displaying mirrored atoms
+if [ "$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 \
+	-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
 fi
 
 # three unit cells in each direction without rotation
@@ -34,6 +53,16 @@ echo "type: 3 no rotation"
 	-r 0.6
 fi
 
+# unti cell 3,0,2
+if [ "$type" = "3x2z" ]; then
+echo "type: 3x2z no rotation"
+./visualize -w 640 -h 480 -d $i \
+	-nll 1.8 -0.2 0.8 -fur 3.20 1.20 2.20 \
+	-b 2.0 0.0 1.0 3.0 1.0 2.0 \
+	-c 2.3 -3.7 2.4 -L 1.5 -1.0 1.5 \
+	-r 0.6
+fi
+
 # first unit cell rotated by 45 degrees about z-axis
 if [ "$type" = "1r" ]; then
 echo "type: 1 rotated"
@@ -44,20 +73,45 @@ echo "type: 1 rotated"
 	#-b 0.0 0.0 0.0 0.0 0.0 1.0 \
 fi
 
-# 100 db in type 1 sc (insdide sc)
-#for i in $1/video/atomic_conf_*.xyz; do
-#	displace=`echo $i | awk -F_ '{ print $5 }' | sed 's/\.xyz//'`
-#echo "$i $displace ..."
-#./visualize -w 640 -h 480 -d $i \
-#	-nll 1.44 -0.56 0.84 -fur 2.56 0.56 2.06 \
-#	-b 1.5 -0.5 1.0 2.5 0.5 2.0 \
-#	-c 2.1 -2.0 1.6 -L 2.0 0 1.5 \
-#	-r 0.6 -B 0.1 -D $displace
-#done
+# first unit cell rotated by 45 degrees displaying mirrored atoms
+if [ "$type" = "1rm" ]; then
+echo "type: 1 rotated, mirrored"
+./visualize -w 640 -h 480 -d $i \
+	-nll -0.20 -0.20 -0.20 -fur 1.20 1.20 1.20 \
+	-b 0.0 0.0 0.0 1.0 1.0 1.0 \
+	-c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
+	-r 0.6 -m 2.0 -2.0 0.0 2.0 2.0 0.0 0.0 0.0 3.0 \
+	-A 193 1.9
+fi
+
+# three unit cells (rotated) in each direction displaying mirrored atoms
+if [ "$type" = "3rm" ]; then
+echo "type: 3 roted, mirrored"
+./visualize -w 640 -h 480 -d $i \
+	-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 1.3 -3.7 2.4 -L 1.5 -1.0 1.5 \
+	-r 0.6 -m 2.0 -2.0 0.0 2.0 2.0 0.0 0.0 0.0 3.0
+fi
 
 ./ppm2avi $i
 
 done
 
+else
+
+# 100 db in type 1 sc (insdide sc)
+for i in $1/video/atomic_conf_*.xyz; do
+	displace=`echo $i | awk -F_ '{ print $7 }' | sed 's/\.xyz//'`
+	echo "$i $displace ..."
+./visualize -w 640 -h 480 -d $i \
+	-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 -B 0.1 -D $displace -m 2.0 -2.0 0.0 2.0 2.0 0.0 0.0 0.0 3.0
+done
+
+fi
+
 #mplayer $1/video/md.avi