X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=moldyn.c;h=997c32ccb24d44607d746d1e6aed87027e9de6cd;hp=258985eb412a83ec6d3dd466c1c76c3c3a624c2c;hb=b5b47daaa3718c4dec2056fe5147668023575b8e;hpb=95cfeec6fbbfa975d5ac5b99ec3f7386ca3d6071

diff --git a/moldyn.c b/moldyn.c
index 258985e..997c32c 100644
--- a/moldyn.c
+++ b/moldyn.c
@@ -1469,7 +1469,7 @@ int moldyn_integrate(t_moldyn *moldyn) {
 	/* calculate initial forces */
 	potential_force_calc(moldyn);
 #ifdef DEBUG
-return 0;
+//return 0;
 #endif
 
 	/* some stupid checks before we actually start calculating bullshit */
@@ -1911,7 +1911,13 @@ int potential_force_calc(t_moldyn *moldyn) {
 	}
 
 #ifdef DEBUG
-	printf("\nATOM 0: %f %f %f\n\n",itom->f.x,itom->f.y,itom->f.z);
+	//printf("\nATOM 0: %f %f %f\n\n",itom->f.x,itom->f.y,itom->f.z);
+	if(moldyn->time>DSTART&&moldyn->time<DEND) {
+		printf("force:\n");
+		printf("  x: %0.40f\n",moldyn->atom[5832].f.x);
+		printf("  y: %0.40f\n",moldyn->atom[5832].f.y);
+		printf("  z: %0.40f\n",moldyn->atom[5832].f.z);
+	}
 #endif
 
 	/* calculate global virial */