X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=vasp_tools%2Fstdvis;h=0f30678d3b7c3c4bcf2dfabf74ca4009f3299f5c;hb=db49cd6cbc99fbd7a0fe8821053f096de821ce6d;hp=c108a8d6b53c9687b4465b1dfa6f0d91594650ac;hpb=35c146f98c24f0a72a3c6f06f2f6a1a776c26f69;p=physik%2Fposic.git

diff --git a/vasp_tools/stdvis b/vasp_tools/stdvis
index c108a8d..0f30678 100755
--- 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 ..."
@@ -29,18 +35,29 @@ echo "type: 1 no rotation"
 	-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 $i \
-	-nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
+	-nll -0.20 -0.20 -0.20 -fur 1.20 1.20 1.20 \
 	-b 0.0 0.0 0.0 1.0 1.0 1.0 \
 	-c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
 	-r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 \
-	-A 193 1.9
+	-A 1 217 2.6
+fi
+
+# first unit cell in each direction without rotation displaying mirrored atoms
+if [ "$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 2.6
 fi
 
 # three unit cells in each direction without rotation
@@ -77,11 +94,11 @@ fi
 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