added fractional output (search bonds) + video{.*} feature (stdvis)

[physik/posic.git] / vasp_tools / stdvis

diff --git a/vasp_tools/stdvis b/vasp_tools/stdvis
index b5685ec..0f30678 100755 (executable)
--- a/vasp_tools/stdvis
+++ b/vasp_tools/stdvis
@@ -11,9 +11,15 @@ else
        type=$2
 fi
 
+if [ -z "$3" ]; then
+       trg="video"
+else
+       type="video.*"
+fi
+
 if [ "$type" != "disp" ]; then
 
-for i in $1/video*; do
+for i in $1/$trg; do
 
        if [ -f $i/stdvis ]; then
                echo "$i already visualized ..."
@@ -36,11 +42,22 @@ fi
 if [ "$type" = "1m" ]; then
 echo "type: 1 no rotation, mirrored"
 ./visualize -w 640 -h 480 -d $i \
-       -nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
+       -nll -0.20 -0.20 -0.20 -fur 1.20 1.20 1.20 \
+       -b 0.0 0.0 0.0 1.0 1.0 1.0 \
+       -c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
+       -r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 \
+       -A 1 217 2.6
+fi
+
+# first unit cell in each direction without rotation displaying mirrored atoms
+if [ "$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 1.9
+       -A 2 217 218 2.6
 fi
 
 # three unit cells in each direction without rotation