From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Tue, 12 Feb 2008 21:18:50 +0000 (+0100)
Subject: more structured run script (concerning visualization)
X-Git-Url: https://hackdaworld.org/gitweb/?a=commitdiff_plain;h=f2db9f09b4a5d328165745b96c58c24ff03b0efd;p=physik%2Fposic.git

more structured run script (concerning visualization)
---

diff --git a/run b/run
index 67d6d73..b46f2ca 100755
--- a/run
+++ b/run
@@ -8,10 +8,20 @@ fi
 if [ "$?" == "0" ]; then
 	#./perms
 	if [ "$1" ] ; then
+		# whole simulation cell
 		#./visualize -w 640 -h 480 -d $1
-		#./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 1.5 -15.0 1.5 -B 0.1
+
+		# 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 1.5 -15.0 1.5 -B 0.1
+
+		# old rasmol
 		#rasmol -32 -nodisplay < $1/visualize.scr > /dev/null 2>&1
-		#./ppm2avi $1
+		./ppm2avi $1
+
+		# copy config and main prog
 		cp -v sic.c $1/sic.c
 		cp -v config.h $1/config.h
 	fi