From 737bbb619a53036e1b2f4eddeecaecb5ae088b38 Mon Sep 17 00:00:00 2001
From: hackbard <hackbard>
Date: Mon, 20 Mar 2006 20:50:41 +0000
Subject: [PATCH] more changes ..

---
 posic.c | 17 +++++++++++------
 1 file changed, 11 insertions(+), 6 deletions(-)

diff --git a/posic.c b/posic.c
index d8491f4..997127e 100644
--- a/posic.c
+++ b/posic.c
@@ -55,6 +55,13 @@ int main(int argc,char **argv) {
 	tau=TAU;
 	tau2=tau*tau;
 
+	/* rasmol script file */
+	sprintf(scr,"./saves/si.scr");
+	fd2=open(scr,O_WRONLY|O_CREAT|O_TRUNC);
+	if(fd2<0) {
+		perror("rasmol script file open");
+		return -1;
+	}
 
 	printf("starting velocity verlet: ");
 	fflush(stdout);
@@ -132,12 +139,10 @@ int main(int argc,char **argv) {
 
 	/* rasmol script & xyz file */
 	sprintf(xyz,"./saves/si-%.15f.xyz",time);
-	sprintf(scr,"./saves/si-%.15f.scr",time);
 	sprintf(ppm,"./video/si-%.15f.ppm",time);
 	fd1=open(xyz,O_WRONLY|O_CREAT|O_TRUNC);
-	fd2=open(scr,O_WRONLY|O_CREAT|O_TRUNC);
-	if((fd1<0)||(fd2<0)) {
-		perror("rasmol file open");
+	if(fd1<0) {
+		perror("rasmol xyz file open");
 		return -1;
 	}
 	dprintf(fd2,"load xyz %s\n",xyz);
@@ -146,14 +151,13 @@ int main(int argc,char **argv) {
 	dprintf(fd2,"rotate y 13\n");
 	dprintf(fd2,"set ambient 20\n");
 	dprintf(fd2,"set specular on\n");
-	dprintf(fd2,"set write on\n");
 	dprintf(fd2,"write ppm %s\n",ppm);
+	dprintf(fd2,"zap\n");
 	dprintf(fd1,"%d\nsilicon\n",amount_si);
 	for(i=0;i<amount_si;i++)
 		dprintf(fd1,"Si %f %f %f %f\n",
 		        si[i].x,si[i].y,si[i].z,time);
 	close(fd1);
-	close(fd2);
 
 	}
 
@@ -165,6 +169,7 @@ int main(int argc,char **argv) {
 	}
 
 	printf(" done\n");
+	close(fd2);
 	free(si);
 
 	return 0;
-- 
2.39.2