From 6c7a8d2d85ad35d61f025daa2dc18eab520b4281 Mon Sep 17 00:00:00 2001 From: hackbard Date: Thu, 29 Oct 2009 08:19:15 +0100 Subject: [PATCH] sec checkin since accidentally deleted (and recovered!) fir the second time now --- vasp_tools/stdvis | 52 ++++++++++++++++++++++++++++++++++++++++++++--- 1 file changed, 49 insertions(+), 3 deletions(-) diff --git a/vasp_tools/stdvis b/vasp_tools/stdvis index 0f30678..4592d5a 100755 --- a/vasp_tools/stdvis +++ b/vasp_tools/stdvis @@ -14,7 +14,7 @@ fi if [ -z "$3" ]; then trg="video" else - type="video.*" + trg="video.*" fi if [ "$type" != "disp" ]; then @@ -44,9 +44,34 @@ echo "type: 1 no rotation, mirrored" ./visualize -w 640 -h 480 -d $i \ -nll -0.20 -0.20 -0.20 -fur 1.20 1.20 1.20 \ -b 0.0 0.0 0.0 1.0 1.0 1.0 \ - -c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \ + -c 0.3 -1.7 0.9 -L 0.5 -1.0 0.5 \ + -r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 \ + -A 1 216 2.6 + #-A 1 217 2.6 + #-c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \ +fi + +# defect combination view 1 +if [ "$type" = "dc1" ]; then +echo "type: defect combination 1, mirrored" +./visualize -w 640 -h 480 -d $i \ + -nll -0.20 -0.20 -0.80 -fur 1.20 1.20 1.20 \ + -b 0.0 0.0 0.0 1.0 1.0 1.0 \ + -c 0.3 -1.7 0.9 -L 0.5 -1.0 0.5 \ + -r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 \ + -A 2 217 218 2.6 +fi + +# first unit cell in each direction without rotation displaying mirrored atoms +if [ "$type" = "x1y1z13" ]; then +echo "type: x1y1z13, mirrored" +./visualize -w 640 -h 480 -d $i \ + -nll -0.20 -0.20 -1.20 -fur 1.20 1.20 1.20 \ + -b 0.0 0.0 0.0 1.0 1.0 1.0 \ + -c 0.3 -1.7 0.4 -L 0.5 -1.0 0 \ -r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 \ -A 1 217 2.6 + #-A 2 109 217 2.6 fi # first unit cell in each direction without rotation displaying mirrored atoms @@ -60,6 +85,16 @@ echo "type: 1 no rotation, mirrored, displaying bonds of the 2 C atoms" -A 2 217 218 2.6 fi +if [ "$type" = "1m2dv" ]; then +echo "type: 1 no rotation, mirrored, displaying bonds of db and vac" +./visualize -w 640 -h 480 -d $i \ + -nll -0.20 -0.20 -0.20 -fur 1.20 1.20 1.20 \ + -b 0.0 0.0 0.0 1.0 1.0 1.0 \ + -c 0.8 -1.7 0.9 -L 0.5 -1.0 0.5 \ + -r 0.6 -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 \ + -A 2 215 216 2.6 +fi + # three unit cells in each direction without rotation if [ "$type" = "3" ]; then echo "type: 3 no rotation" @@ -67,7 +102,7 @@ echo "type: 3 no rotation" -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 + -r 0.6 -A 1 217 2.6 fi # unti cell 3,0,2 @@ -111,6 +146,17 @@ echo "type: 3 roted, mirrored" -r 0.6 -m 2.0 -2.0 0.0 2.0 2.0 0.0 0.0 0.0 3.0 fi +# x: 2,3 y 3 z 1,2 +if [ "$type" = "x123y3z123" ]; then +echo "type: x: 1,2,3 y 3 z 1,2,3" +./visualize -w 640 -h 480 -d $i \ + -nll -0.20 1.80 -0.20 -fur 3.20 3.20 3.20 \ + -b 1.0 2.0 1.0 2.0 3.0 2.0 \ + -c 1.8 -1.7 2.2 -L 1.6 2.5 1.7 \ + -r 0.6 -A 1 217 2.6 \ + -m 3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0 +fi + ./ppm2avi $i done -- 2.20.1