X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=potentials%2Falbe_fast.c;h=45ebff9203abf296c9d3b6f5e4af454ff7049599;hb=94ddbad8d315e02d81e20a62560f2e67b4bae115;hp=6331064eb63b2f217470214b2024256cc5458acd;hpb=a198ee2eb93c0f14bdaea14722f4d98e5890935f;p=physik%2Fposic.git

diff --git a/potentials/albe_fast.c b/potentials/albe_fast.c
index 6331064..45ebff9 100644
--- a/potentials/albe_fast.c
+++ b/potentials/albe_fast.c
@@ -45,7 +45,9 @@ int albe_potential_force_calc(t_moldyn *moldyn) {
 #ifdef STATIC_LISTS
 	int *neighbour_i[27];
 	int p,q;
-	t_atom *atom;
+#elif LOWMEM_LISTS
+	int neighbour_i[27];
+	int p,q;
 #else
 	t_list neighbour_i[27];
 	t_list neighbour_i2[27];
@@ -102,9 +104,6 @@ int albe_potential_force_calc(t_moldyn *moldyn) {
 	count=moldyn->count;
 	itom=moldyn->atom;
 	lc=&(moldyn->lc);
-#ifdef STATIC_LISTS
-	atom=moldyn->atom;
-#endif
 
 	// optimized
 	params=moldyn->pot_params;
@@ -157,7 +156,9 @@ int albe_potential_force_calc(t_moldyn *moldyn) {
 		dnlc=lc->dnlc;
 
 		/* copy the neighbour lists */
-#ifndef STATIC_LISTS
+#ifdef STATIC_LISTS
+#elif LOWMEM_LISTS
+#else
 		memcpy(neighbour_i2,neighbour_i,27*sizeof(t_list));
 #endif
 
@@ -171,10 +172,17 @@ int albe_potential_force_calc(t_moldyn *moldyn) {
 #ifdef STATIC_LISTS
 			p=0;
 
-			while(neighbour_i[j][p]!=0) {
+			while(neighbour_i[j][p]!=-1) {
 
-				jtom=&(atom[neighbour_i[j][p]]);
+				jtom=&(itom[neighbour_i[j][p]]);
 				p++;
+#elif LOWMEM_LISTS
+			p=neighbour_i[j];
+
+			while(p!=-1) {
+
+				jtom=&(itom[p]);
+				p=lc->subcell->list[p];
 #else
 			this=&(neighbour_i[j]);
 			list_reset_f(this);
@@ -236,10 +244,17 @@ int albe_potential_force_calc(t_moldyn *moldyn) {
 #ifdef STATIC_LISTS
 					q=0;
 
-					while(neighbour_i[j][q]!=0) {
+					while(neighbour_i[k][q]!=-1) {
 
-						ktom=&(atom[neighbour_i[k][q]]);
+						ktom=&(itom[neighbour_i[k][q]]);
 						q++;
+#elif LOWMEM_LISTS
+					q=neighbour_i[k];
+
+					while(q!=-1) {
+
+						ktom=&(itom[q]);
+						q=lc->subcell->list[q];
 #else
 					that=&(neighbour_i2[k]);
 					list_reset_f(that);
@@ -359,6 +374,8 @@ int albe_potential_force_calc(t_moldyn *moldyn) {
 
 #ifdef STATIC_LISTS
 					}
+#elif LOWMEM_LISTS
+					}
 #else
 					} while(list_next_f(that)!=\
 					        L_NO_NEXT_ELEMENT);
@@ -466,10 +483,17 @@ if(moldyn->time>DSTART&&moldyn->time<DEND) {
 #ifdef STATIC_LISTS
 					q=0;
 
-					while(neighbour_i[j][q]!=0) {
+					while(neighbour_i[k][q]!=-1) {
 
-						ktom=&(atom[neighbour_i[k][q]]);
+						ktom=&(itom[neighbour_i[k][q]]);
 						q++;
+#elif LOWMEM_LISTS
+					q=neighbour_i[k];
+
+					while(q!=-1) {
+
+						ktom=&(itom[q]);
+						q=lc->subcell->list[q];
 #else
 					that=&(neighbour_i2[k]);
 					list_reset_f(that);
@@ -597,6 +621,8 @@ if(moldyn->time>DSTART&&moldyn->time<DEND) {
 
 #ifdef STATIC_LISTS
 					}
+#elif LOWMEM_LISTS
+					}
 #else
 					} while(list_next_f(that)!=\
 					        L_NO_NEXT_ELEMENT);
@@ -606,6 +632,8 @@ if(moldyn->time>DSTART&&moldyn->time<DEND) {
 				
 #ifdef STATIC_LISTS
 			}
+#elif LOWMEM_LISTS
+			}
 #else
 			} while(list_next_f(this)!=L_NO_NEXT_ELEMENT);
 #endif