X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=run;h=657e6fb1e3e7a3344b6ca779a91aa637ac8dbe91;hp=c7d454ca1629a0d29a187c159bd479bf530bd0e3;hb=HEAD;hpb=863fae26146496ac4bc3bc6c95cbffff7bb6eca2

diff --git a/run b/run
index c7d454c..657e6fb 100755
--- a/run
+++ b/run
@@ -1,11 +1,29 @@
+if [ -z "$1" ]; then
+	exit
+fi
+
 [ ! -d $1 ] && mkdir $1
 ./clean $1
 ./sic $@
 if [ "$?" == "0" ]; then
 	#./perms
 	if [ "$1" ] ; then
-		./visualize -d $1
+		# whole simulation cell
+		#./visualize -w 640 -h 480 -d $1
+
+		# center unit cell
+		./visualize -w 640 -h 480 -d $1 \
+		            -nll -0.56 -0.56 -0.56 -fur 0.56 0.56 0.56 \
+			    -b -0.5 -0.5 -0.5 0.5 0.5 0.5 \
+			    -c -0.2 -2.0 0.6 -L 0 0 -0.1 \
+			    -r 0.6 -B 0.1
+
+		# old rasmol
 		#rasmol -32 -nodisplay < $1/visualize.scr > /dev/null 2>&1
 		./ppm2avi $1
+
+		# copy config and main prog
+		cp -v sic.c $1/sic.c
+		cp -v config.h $1/config.h
 	fi
 fi