X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=blobdiff_plain;f=run;h=aabfa56a4b580f1908179b5c1c0b7065213feebc;hb=ec7f64ff88421817a9f13bb6e3897693764551f2;hp=264a4aca518259049bfdeaea37f1c26e3d4885f4;hpb=76f807f6dda48b6d606309cea79005e612e4f665;p=physik%2Fposic.git

diff --git a/run b/run
index 264a4ac..aabfa56 100755
--- a/run
+++ b/run
@@ -1,10 +1,28 @@
-mkdir -p saves video
-./clean
-./sic
+if [ -z "$1" ]; then
+	exit
+fi
+
+[ ! -d $1 ] && mkdir $1
+./clean $1
+./sic $@
 if [ "$?" == "0" ]; then
-	./perms
+	#./perms
 	if [ "$1" ] ; then
-		rasmol -nodisplay < $1.scr > /dev/null 2>&1
-		./ppm2avi
+		# whole simulation cell
+		#./visualize -w 640 -h 480 -d $1
+
+		# center unit cell
+		./visualize -w 640 -h 480 -d $1 \
+		            -nll -2.4 -2.4 -2.4 -fur 3.8 3.8 3.8 \
+			    -b -2.03 -2.03 -2.03 3.39 3.39 3.39 \
+			    -r 0.6 -c -0.5 -11.0 2.5 -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