X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=mdrun.c;fp=mdrun.c;h=c30ce5ffffca7738a6e851faa56defd3d27ee6da;hp=bd70d007ab1f430e031de6b879aface7dd5713f3;hb=f1645c044d628216b6b77dd899ab0de469a59175;hpb=f30e720a9d88a343ae14b874bef39b60bff3e905

diff --git a/mdrun.c b/mdrun.c
index bd70d00..c30ce5f 100644
--- a/mdrun.c
+++ b/mdrun.c
@@ -308,10 +308,12 @@ int mdrun_parse_config(t_mdrun *mdrun) {
 					fp.lz=atoi(word[++i]);
 					fp.lc=atof(word[++i]);
 					mdrun->lc=fp.lc;
+					continue;
 				}
 				if(!strncmp(word[i],"eb",2)) {
 					fp.fill_element=atoi(word[++i]);
 					fp.fill_brand=atoi(word[++i]);
+					continue;
 				}
 				if(word[i][0]=='p') {
 					i+=1;
@@ -347,6 +349,7 @@ int mdrun_parse_config(t_mdrun *mdrun) {
 						fp.p_params.d.y=atof(word[++i]);
 						fp.p_params.d.z=atof(word[++i]);
 					}
+					continue;
 				}
 				if(word[i][0]=='d') {
 					switch(word[++i][0]) {
@@ -387,6 +390,7 @@ int mdrun_parse_config(t_mdrun *mdrun) {
 						default:
 							break;
 					}
+					continue;
 
 				}
 				i+=1;
@@ -1255,8 +1259,9 @@ int mdrun_hook(void *ptr1,void *ptr2) {
 
 					create_lattice(moldyn,
 					               fp->lattice,fp->lc,
-					               mdrun->element1,
-					               DEFAULT_ATOM_ATTR,0,
+					               fp->fill_element,
+					               DEFAULT_ATOM_ATTR,
+					               fp->fill_brand,
 					               fp->lx,fp->ly,fp->lz,
 					               NULL,
 					               &(fp->p_params),