X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=mdrun.c;h=eff1ee5ec673a02df713595f238d844af873a34a;hb=fc49c3d16b8d8e3b0dc9b502dd72612c30f5ec57;hp=31abd1c069a0cbe6dd5660cbc82fae22990ef672;hpb=1bcee27b60522025d3f43ad02347c413f6030698;p=physik%2Fposic.git

diff --git a/mdrun.c b/mdrun.c
index 31abd1c..eff1ee5 100644
--- a/mdrun.c
+++ b/mdrun.c
@@ -402,8 +402,10 @@ int mdrun_parse_config(t_mdrun *mdrun) {
 					}
 				}
 				// only rand mode by now
-				if(word[8][0]=='t')
+				if(word[8][0]=='t') {
 					iap.type=INS_TOTAL;
+					iap.cr=atof(word[9]);
+				}
 				else {
 					iap.type=INS_REGION;
 					iap.x0=atof(word[8]);
@@ -412,6 +414,7 @@ int mdrun_parse_config(t_mdrun *mdrun) {
 					iap.x1=atof(word[11]);
 					iap.y1=atof(word[12]);
 					iap.z1=atof(word[13]);
+					iap.cr=atof(word[14]);
 				}
 				add_stage(mdrun,STAGE_INSERT_ATOMS,&iap);
 			}
@@ -550,8 +553,10 @@ int insert_atoms(t_moldyn *moldyn,t_mdrun *mdrun) {
 		}
 		add_atom(moldyn,iap->element,pse_mass[iap->element],
 		         iap->brand,iap->attr,&r,&v);
-		printf("%s atom inserted: %f %f %f | d squared = %f\n",
-		       ME,r.x,r.y,r.z,dmin);
+		printf("%s atom inserted (%d/%d): %f %f %f\n",
+		       ME,(iap->cnt_steps+1)*iap->ins_atoms,
+		       iap->ins_steps*iap->ins_atoms,r.x,r.y,r.z);
+		printf("  -> d2 = %f/%f\n",dmin,iap->cr*iap->cr);
 		cnt+=1;
 	}