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init testing
[physik/posic.git]
/
moldyn.c
diff --git
a/moldyn.c
b/moldyn.c
index
029f7c7
..
ba3c1a3
100644
(file)
--- a/
moldyn.c
+++ b/
moldyn.c
@@
-15,13
+15,13
@@
int create_lattice(unsigned char type,int element,double mass,double lc,
int create_lattice(unsigned char type,int element,double mass,double lc,
-
t_3dvec *dim
,t_atom **atom) {
+
int a,int b,int c
,t_atom **atom) {
int count;
int ret;
t_3dvec origin;
int count;
int ret;
t_3dvec origin;
- count=
((dim->x/lc)*(dim->y/lc)*(dim->z/lc))
;
+ count=
a*b*c
;
if(type==FCC) count*=4;
if(type==DIAMOND) count*=8;
if(type==FCC) count*=4;
if(type==DIAMOND) count*=8;
@@
-36,10
+36,10
@@
int create_lattice(unsigned char type,int element,double mass,double lc,
switch(type) {
case FCC:
switch(type) {
case FCC:
- ret=fcc_init(
dim
,lc,*atom,&origin);
+ ret=fcc_init(
a,b,c
,lc,*atom,&origin);
break;
case DIAMOND:
break;
case DIAMOND:
- ret=diamond_init(
dim
,lc,*atom,&origin);
+ ret=diamond_init(
a,b,c
,lc,*atom,&origin);
break;
default:
ret=-1;
break;
default:
ret=-1;