X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=run;h=657e6fb1e3e7a3344b6ca779a91aa637ac8dbe91;hp=584a4462b121ad61eccc25e500280335e623ac52;hb=HEAD;hpb=881d130efd1104bd886507e3d90f262f7a82cf2d

diff --git a/run b/run
index 584a446..657e6fb 100755
--- a/run
+++ b/run
@@ -1,13 +1,29 @@
-mkdir -p saves video
-./clean
-./posic $@
+if [ -z "$1" ]; then
+	exit
+fi
+
+[ ! -d $1 ] && mkdir $1
+./clean $1
+./sic $@
 if [ "$?" == "0" ]; then
-	./perms
-	argv="`echo $@ | grep -- '-V'`"
-	if [ "$argv" ] ; then
-		base=`echo $argv | awk -F'-V' '{ print $2 }' | \
-			awk '{ print $2 }'`
-		rasmol -nodisplay < ${base}.scr
-		./ppm2avi
+	#./perms
+	if [ "$1" ] ; then
+		# 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