X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=vasp_tools%2Fstdvis;h=2c1dd5acf952f17fed8521a649f5133ae20357cc;hb=fffc99f971f0c08afc6afdf53f784be76e688636;hp=12c7cd61651994c7cb8af1bf4f2e854bd4a2302c;hpb=88c1733cf107670db154954879b59bc7bb8ce3f2;p=physik%2Fposic.git

diff --git a/vasp_tools/stdvis b/vasp_tools/stdvis
index 12c7cd6..2c1dd5a 100755
--- a/vasp_tools/stdvis
+++ b/vasp_tools/stdvis
@@ -1,14 +1,110 @@
+#!/bin/bash
+
 if [ -z "$1" ]; then
+	echo "specify a directory ..."
 	exit
 fi
 
-./visualize -w 640 -h 480 -d $1/video \
-	-nll -1.06 -1.06 -1.06 -fur 2.06 2.06 2.06 \
+if [ -z "$2" ]; then
+	type="default"
+else
+	type=$2
+fi
+
+if [ "$type" != "disp" ]; then
+
+for i in $1/video*; do
+
+
+# first unit cell in each direction without rotation
+if [ "$type" = "default" -o "$type" = "1" ]; then
+echo "type: 1 no rotation"
+./visualize -w 640 -h 480 -d $i \
+	-nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
 	-b 0.0 0.0 0.0 1.0 1.0 1.0 \
-	-c 0.3 -2.5 1.1 -L 0.5 0.5 0.4 \
+	-c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
+	-r 0.6
+fi
+
+# first unit cell in each direction without rotation displaying mirrored atoms
+if [ "$type" = "1m" ]; then
+echo "type: 1 no rotation, mirrored"
+./visualize -w 640 -h 480 -d $i \
+	-nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
+	-b 0.0 0.0 0.0 1.0 1.0 1.0 \
+	-c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
+	-r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0
+fi
+
+# three unit cells in each direction without rotation
+if [ "$type" = "3" ]; then
+echo "type: 3 no rotation"
+./visualize -w 640 -h 480 -d $i \
+	-nll -0.20 -0.20 -0.20 -fur 3.20 3.20 3.20 \
+	-b 0.0 0.0 0.0 3.0 3.0 3.0 \
+	-c 2.3 -3.7 2.4 -L 1.5 -1.0 1.5 \
+	-r 0.6
+fi
+
+# unti cell 3,0,2
+if [ "$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"
+./visualize -w 640 -h 480 -d $i \
+	-nll -0.20 -0.70 -0.20 -fur 2.00 0.70 1.20 \
+	-c -0.5 -1.5 0.9 -L 1.0 0.0 0.5 \
+	-r 0.6
+	#-b 0.0 0.0 0.0 0.0 0.0 1.0 \
+fi
 
-./ppm2avi $1/video
+# first unit cell rotated by 45 degrees displaying mirrored atoms
+if [ "$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
+#mplayer $1/video/md.avi