X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=moldyn.c;h=515a27315bf8455c45a59d81eb278431b7d0f44c;hb=a40aa116ffcefe415a0146c9ea10918ce5b4f888;hp=9d782d657fbc89c5ab800ed7705de48c87739a1e;hpb=76f807f6dda48b6d606309cea79005e612e4f665;p=physik%2Fposic.git

diff --git a/moldyn.c b/moldyn.c
index 9d782d6..515a273 100644
--- a/moldyn.c
+++ b/moldyn.c
@@ -185,17 +185,15 @@ int create_lattice(t_moldyn *moldyn,u8 type,double lc,int element,double mass,
 	int count;
 	int ret;
 	t_3dvec origin;
-	t_atom *atom;
 
 	count=a*b*c;
-	atom=moldyn->atom;
 
 	if(type==FCC) count*=4;
 
 	if(type==DIAMOND) count*=8;
 
-	atom=malloc(count*sizeof(t_atom));
-	if(atom==NULL) {
+	moldyn->atom=malloc(count*sizeof(t_atom));
+	if(moldyn->atom==NULL) {
 		perror("malloc (atoms)");
 		return -1;
 	}
@@ -204,10 +202,10 @@ int create_lattice(t_moldyn *moldyn,u8 type,double lc,int element,double mass,
 
 	switch(type) {
 		case FCC:
-			ret=fcc_init(a,b,c,lc,atom,&origin);
+			ret=fcc_init(a,b,c,lc,moldyn->atom,&origin);
 			break;
 		case DIAMOND:
-			ret=diamond_init(a,b,c,lc,atom,&origin);
+			ret=diamond_init(a,b,c,lc,moldyn->atom,&origin);
 			break;
 		default:
 			printf("unknown lattice type (%02x)\n",type);
@@ -225,10 +223,10 @@ int create_lattice(t_moldyn *moldyn,u8 type,double lc,int element,double mass,
 	moldyn->count=count;
 
 	while(count) {
-		atom[count-1].element=element;
-		atom[count-1].mass=mass;
-		atom[count-1].attr=attr;
-		atom[count-1].bnum=bnum;
+		moldyn->atom[count-1].element=element;
+		moldyn->atom[count-1].mass=mass;
+		moldyn->atom[count-1].attr=attr;
+		moldyn->atom[count-1].bnum=bnum;
 		count-=1;
 	}