X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=mdrun.c;fp=mdrun.c;h=83f501ce2074cb568b7637bc0f8f2c4d2a00146e;hp=17ce2776544d765276f48a68eae4ffc11328f2f9;hb=787848dc9bf3daa2ccb76296de904688cc504a45;hpb=4416acfc0eb87fa9d6a5e3671e22181591836fe9

diff --git a/mdrun.c b/mdrun.c
index 17ce277..83f501c 100644
--- a/mdrun.c
+++ b/mdrun.c
@@ -1166,24 +1166,24 @@ int main(int argc,char **argv) {
 			create_lattice(&moldyn,FCC,mdrun.lc,mdrun.fill_element,
 			               mdrun.m1,DEFAULT_ATOM_ATTR,
                                        mdrun.fill_brand,mdrun.lx,
-			               mdrun.ly,mdrun.lz,NULL);
+			               mdrun.ly,mdrun.lz,NULL,0,NULL);
 			break;
 		case DIAMOND:
 			create_lattice(&moldyn,DIAMOND,mdrun.lc,
                                        mdrun.fill_element,
 			               mdrun.m1,DEFAULT_ATOM_ATTR,
                                        mdrun.fill_brand,mdrun.lx,
-			               mdrun.ly,mdrun.lz,NULL);
+			               mdrun.ly,mdrun.lz,NULL,0,NULL);
 			break;
 		case ZINCBLENDE:
 			o.x=0.5*0.25*mdrun.lc; o.y=o.x; o.z=o.x;
 			create_lattice(&moldyn,FCC,mdrun.lc,mdrun.element1,
 			               mdrun.m1,DEFAULT_ATOM_ATTR,0,mdrun.lx,
-			               mdrun.ly,mdrun.lz,&o);
+			               mdrun.ly,mdrun.lz,&o,0,NULL);
 			o.x+=0.25*mdrun.lc; o.y=o.x; o.z=o.x;
 			create_lattice(&moldyn,FCC,mdrun.lc,mdrun.element2,
 			               mdrun.m2,DEFAULT_ATOM_ATTR,1,mdrun.lx,
-			               mdrun.ly,mdrun.lz,&o);
+			               mdrun.ly,mdrun.lz,&o,0,NULL);
 			break;
 		case NONE:
 			set_nn_dist(&moldyn,mdrun.nnd);