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fixed compile errors, no testing yet!
[physik/posic.git]
/
moldyn.c
diff --git
a/moldyn.c
b/moldyn.c
index
988b467
..
832d171
100644
(file)
--- a/
moldyn.c
+++ b/
moldyn.c
@@
-79,7
+79,8
@@
static char *pse_col[]={
"Ar",
};
"Ar",
};
-static double *pse_mass[]={
+/*
+static double pse_mass[]={
0,
0,
0,
0,
0,
0,
@@
-101,7
+102,7
@@
static double *pse_mass[]={
0,
};
0,
};
-static double
*
pse_lc[]={
+static double pse_lc[]={
0,
0,
0,
0,
0,
0,
@@
-122,6
+123,7
@@
static double *pse_lc[]={
0,
0,
};
0,
0,
};
+*/
/*
* the moldyn functions
/*
* the moldyn functions
@@
-202,7
+204,7
@@
int set_pressure(t_moldyn *moldyn,double p_ref) {
int set_p_scale(t_moldyn *moldyn,u8 ptype,double ptc) {
int set_p_scale(t_moldyn *moldyn,u8 ptype,double ptc) {
- moldyn->pt_scale
i&=(^
(P_SCALE_MASK));
+ moldyn->pt_scale
&=(~
(P_SCALE_MASK));
moldyn->pt_scale|=ptype;
moldyn->p_tc=ptc;
moldyn->pt_scale|=ptype;
moldyn->p_tc=ptc;
@@
-213,27
+215,17
@@
int set_p_scale(t_moldyn *moldyn,u8 ptype,double ptc) {
printf(" | type: %02x | factor: %f",ptype,ptc);
printf("\n");
printf(" | type: %02x | factor: %f",ptype,ptc);
printf("\n");
- printf(" t: %s",ttype?"yes":"no ");
- if(ttype)
- printf(" | type: %02x | factor: %f",ttype,ttc);
- printf("\n");
-
return 0;
}
int set_t_scale(t_moldyn *moldyn,u8 ttype,double ttc) {
return 0;
}
int set_t_scale(t_moldyn *moldyn,u8 ttype,double ttc) {
- moldyn->pt_scale
i&=(^
(T_SCALE_MASK));
+ moldyn->pt_scale
&=(~
(T_SCALE_MASK));
moldyn->pt_scale|=ttype;
moldyn->t_tc=ttc;
printf("[moldyn] p/t scaling:\n");
moldyn->pt_scale|=ttype;
moldyn->t_tc=ttc;
printf("[moldyn] p/t scaling:\n");
- printf(" p: %s",ptype?"yes":"no ");
- if(ptype)
- printf(" | type: %02x | factor: %f",ptype,ptc);
- printf("\n");
-
printf(" t: %s",ttype?"yes":"no ");
if(ttype)
printf(" | type: %02x | factor: %f",ttype,ttc);
printf(" t: %s",ttype?"yes":"no ");
if(ttype)
printf(" | type: %02x | factor: %f",ttype,ttc);