X-Git-Url: https://www.hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=sic.c;h=375c6d54b38756aef74f12431075dd8fd6b446fc;hp=f769f6fb7c0e1a87544368d66421158f659b89e4;hb=HEAD;hpb=787848dc9bf3daa2ccb76296de904688cc504a45

diff --git a/sic.c b/sic.c
index f769f6f..375c6d5 100644
--- a/sic.c
+++ b/sic.c
@@ -121,7 +121,7 @@ int insert_atoms(t_moldyn *moldyn) {
 					dmin=d;
 			}
 		}
-		add_atom(moldyn,INS_TYPE,INS_MASS,INS_BRAND,
+		add_atom(moldyn,INS_TYPE,INS_BRAND,
 		         ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|\
 			 INS_ATTR,
 		         &r,&v);
@@ -325,23 +325,23 @@ int main(int argc,char **argv) {
 	// diamond
 #ifdef ALBE
  #ifdef INIT_SI
-	create_lattice(&md,DIAMOND,ALBE_LC_SI,SI,M_SI,
+	create_lattice(&md,DIAMOND,ALBE_LC_SI,SI,
 	               ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|ATOM_ATTR_HB,
 		       0,LCNTX,LCNTY,LCNTZ,NULL,0,NULL);
  #endif
  #ifdef INIT_C
-	create_lattice(&md,DIAMOND,ALBE_LC_C,C,M_C,
+	create_lattice(&md,DIAMOND,ALBE_LC_C,C,
 	               ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|ATOM_ATTR_HB,
 		       1,LCNTX,LCNTY,LCNTZ,NULL,0,NULL);
  #endif
 #else
  #ifdef INIT_SI
-	create_lattice(&md,DIAMOND,LC_SI,SI,M_SI,
+	create_lattice(&md,DIAMOND,LC_SI,SI,
 	               ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|ATOM_ATTR_HB,
 		       0,LCNTX,LCNTY,LCNTZ,NULL,0,NULL);
  #endif
  #ifdef INIT_C
-	create_lattice(&md,DIAMOND,LC_C,SI,M_SI,
+	create_lattice(&md,DIAMOND,LC_C,SI,
 	               ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|ATOM_ATTR_HB,
 		       1,LCNTX,LCNTY,LCNTZ,NULL,0,NULL);
  #endif
@@ -351,20 +351,20 @@ int main(int argc,char **argv) {
 #ifdef INIT_3CSIC
  #ifdef ALBE
 	r.x=0.5*0.25*ALBE_LC_SIC; r.y=r.x; r.z=r.x;
-	create_lattice(&md,FCC,ALBE_LC_SIC,SI,M_SI,
+	create_lattice(&md,FCC,ALBE_LC_SIC,SI,
 	               ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|ATOM_ATTR_HB,
 	               0,LCNTX,LCNTY,LCNTZ,&r,0,NULL);
 	r.x+=0.25*ALBE_LC_SIC; r.y=r.x; r.z=r.x;
-	create_lattice(&md,FCC,ALBE_LC_SIC,C,M_C,
+	create_lattice(&md,FCC,ALBE_LC_SIC,C,
 	               ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|ATOM_ATTR_HB|ATOM_ATTR_VB,
 	               1,LCNTX,LCNTY,LCNTZ,&r,0,NULL);
  #else
 	r.x=0.5*0.25*TM_LC_SIC; r.y=r.x; r.z=r.x;
-	create_lattice(&md,FCC,TM_LC_SIC,SI,M_SI,
+	create_lattice(&md,FCC,TM_LC_SIC,SI,
 	               ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|ATOM_ATTR_HB,
 	               0,LCNTX,LCNTY,LCNTZ,&r,0,NULL);
 	r.x+=0.25*TM_LC_SIC; r.y=r.x; r.z=r.x;
-	create_lattice(&md,FCC,TM_LC_SIC,C,M_C,
+	create_lattice(&md,FCC,TM_LC_SIC,C,
 	               ATOM_ATTR_1BP|ATOM_ATTR_2BP|ATOM_ATTR_3BP|ATOM_ATTR_HB,
 	               1,LCNTX,LCNTY,LCNTZ,&r,0,NULL);
  #endif