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compiler probs ?!? bc check ... (working with gcc-3.4)
author
hackbard
<hackbard>
Mon, 11 Dec 2006 16:07:58 +0000
(16:07 +0000)
committer
hackbard
<hackbard>
Mon, 11 Dec 2006 16:07:58 +0000
(16:07 +0000)
Makefile
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moldyn.c
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diff --git
a/Makefile
b/Makefile
index
dabf04c
..
742a7a5
100644
(file)
--- a/
Makefile
+++ b/
Makefile
@@
-1,4
+1,4
@@
-CC=gcc
+CC=gcc
-3.4
CFLAGS=-Wall -O3 #-DSIMPLE_TESTING
LDFLAGS=-lm
CFLAGS=-Wall -O3 #-DSIMPLE_TESTING
LDFLAGS=-lm
diff --git
a/moldyn.c
b/moldyn.c
index
4ddc42e
..
8f6f262
100644
(file)
--- a/
moldyn.c
+++ b/
moldyn.c
@@
-781,15
+781,12
@@
int velocity_verlet(t_moldyn *moldyn) {
v3_add(&(atom[i].r),&(atom[i].r),&delta);
v3_scale(&delta,&(atom[i].f),0.5*tau_square/atom[i].mass);
v3_add(&(atom[i].r),&(atom[i].r),&delta);
v3_add(&(atom[i].r),&(atom[i].r),&delta);
v3_scale(&delta,&(atom[i].f),0.5*tau_square/atom[i].mass);
v3_add(&(atom[i].r),&(atom[i].r),&delta);
-//if(i==0) printf("und dann %.20f\n",atom[i].r.x*1e10);
check_per_bound(moldyn,&(atom[i].r));
check_per_bound(moldyn,&(atom[i].r));
-//if(i==0) printf("und danach %.20f\n",atom[i].r.x);
/* velocities */
v3_scale(&delta,&(atom[i].f),0.5*tau/atom[i].mass);
v3_add(&(atom[i].v),&(atom[i].v),&delta);
}
/* velocities */
v3_scale(&delta,&(atom[i].f),0.5*tau/atom[i].mass);
v3_add(&(atom[i].v),&(atom[i].v),&delta);
}
-moldyn_bc_check(moldyn);
/* neighbour list update */
link_cell_update(moldyn);
/* neighbour list update */
link_cell_update(moldyn);