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support bonds for more than one atom
[physik/posic.git]
/
vasp_tools
/
stdvis
diff --git
a/vasp_tools/stdvis
b/vasp_tools/stdvis
index
2c1dd5a
..
b5685ec
100755
(executable)
--- a/
vasp_tools/stdvis
+++ b/
vasp_tools/stdvis
@@
-15,6
+15,12
@@
if [ "$type" != "disp" ]; then
for i in $1/video*; do
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 "$type" = "1" ]; then
# first unit cell in each direction without rotation
if [ "$type" = "default" -o "$type" = "1" ]; then
@@
-23,7
+29,7
@@
echo "type: 1 no rotation"
-nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
-b 0.0 0.0 0.0 1.0 1.0 1.0 \
-c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
-nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
-b 0.0 0.0 0.0 1.0 1.0 1.0 \
-c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
- -r 0.6
+ -r 0.6
-A 1 217 1.9
fi
# first unit cell in each direction without rotation displaying mirrored atoms
fi
# first unit cell in each direction without rotation displaying mirrored atoms
@@
-33,7
+39,8
@@
echo "type: 1 no rotation, mirrored"
-nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
-b 0.0 0.0 0.0 1.0 1.0 1.0 \
-c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
-nll -0.20 -0.20 -0.50 -fur 1.20 1.20 1.20 \
-b 0.0 0.0 0.0 1.0 1.0 1.0 \
-c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \
- -r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0
+ -r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 \
+ -A 2 217 218 1.9
fi
# three unit cells in each direction without rotation
fi
# three unit cells in each direction without rotation
@@
-70,11
+77,11
@@
fi
if [ "$type" = "1rm" ]; then
echo "type: 1 rotated, mirrored"
./visualize -w 640 -h 480 -d $i \
if [ "$type" = "1rm" ]; then
echo "type: 1 rotated, mirrored"
./visualize -w 640 -h 480 -d $i \
- -nll -0.20 -0.20 -0.
2
0 -fur 1.20 1.20 1.20 \
+ -nll -0.20 -0.20 -0.
5
0 -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 \
-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
1
93 1.9
fi
# three unit cells (rotated) in each direction displaying mirrored atoms
fi
# three unit cells (rotated) in each direction displaying mirrored atoms