X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=moldyn.c;h=832d171be44b345c61a6f05306bfe1b12e9c8c3d;hb=3592f3b0cf641729566674a7cdfd8eff3f61f59a;hp=988b4671780d6fb68a8826c92390c2cedd2ff663;hpb=d7f67c88195ab155f2737e57cc5e81973d3feb0c;p=physik%2Fposic.git

diff --git a/moldyn.c b/moldyn.c
index 988b467..832d171 100644
--- a/moldyn.c
+++ b/moldyn.c
@@ -79,7 +79,8 @@ static char *pse_col[]={
 	"Ar",
 };
 
-static double *pse_mass[]={
+/*
+static double pse_mass[]={
 	0,
 	0,
 	0,
@@ -101,7 +102,7 @@ static double *pse_mass[]={
 	0,
 };
 
-static double *pse_lc[]={
+static double pse_lc[]={
 	0,
 	0,
 	0,
@@ -122,6 +123,7 @@ static double *pse_lc[]={
 	0,
 	0,
 };
+*/
 
 /*
  * 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) {
 
-	moldyn->pt_scalei&=(^(P_SCALE_MASK));
+	moldyn->pt_scale&=(~(P_SCALE_MASK));
 	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("  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) {
 
-	moldyn->pt_scalei&=(^(T_SCALE_MASK));
+	moldyn->pt_scale&=(~(T_SCALE_MASK));
 	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);