mirror feature + new std vis

[physik/posic.git] / vasp_tools / stdvis

diff --git a/vasp_tools/stdvis b/vasp_tools/stdvis
index 12c7cd6..8a4d86e 100755 (executable)
--- a/vasp_tools/stdvis
+++ b/vasp_tools/stdvis
@@ -1,14 +1,99 @@
+#!/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 $i \
+       -nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
        -b 0.0 0.0 0.0 1.0 1.0 1.0 \
-       -c 0.3 -2.5 1.1 -L 0.5 0.5 0.4 \
+       -c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
+       -r 0.6
+fi
+
+# three unit cells in each direction without rotation
+if [ "$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
 
-./ppm2avi $1/video
+# unti cell 3,0,2
+if [ "$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 $i \
+       -nll -0.20 -0.70 -0.20 -fur 2.00 0.70 1.20 \
+       -c -0.5 -1.5 0.9 -L 1.0 0.0 0.5 \
+       -r 0.6
+       #-b 0.0 0.0 0.0 0.0 0.0 1.0 \
+fi
+
+# first unit cell displaying mirrored atoms
+if [ "$type" = "1m" ]; then
+echo "type: 1 no rotation, mirrored"
+./visualize -w 640 -h 480 -d $i \
+       -nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
+       -b 0.0 0.0 0.0 1.0 1.0 1.0 \
+       -c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
+       -r 0.6 -m 2.0 -2.0 0.0 2.0 2.0 0.0 0.0 0.0 3.0
+fi
+
+# three unit cells in each direction displaying mirrored atoms
+if [ "$type" = "3m" ]; then
+echo "type: 3 no rotation, 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