From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Thu, 30 Apr 2009 08:14:29 +0000 (+0200)
Subject: fixed compiler warnings
X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=commitdiff_plain;h=0dcc7bab1d1dbd22996c9de848ed54d5d9be656b;p=physik%2Fposic.git

fixed compiler warnings
---

diff --git a/mdrun.c b/mdrun.c
index 1bf983d..f402e40 100644
--- a/mdrun.c
+++ b/mdrun.c
@@ -17,11 +17,6 @@
 #include "potentials/tersoff.h"
 #endif
 
-/* pse */
-#define PSE_MASS
-#include "pse.h"
-#undef PSE_MASS
-
 #define ME	"[mdrun]"
 
 /*
diff --git a/pair_correlation_calc.c b/pair_correlation_calc.c
index cfe14e2..26db76b 100644
--- a/pair_correlation_calc.c
+++ b/pair_correlation_calc.c
@@ -43,6 +43,8 @@ int main(int argc,char **argv) {
 	dr=atof(argv[1]);
 
 	first=1;
+	stat=NULL;
+	total=NULL;
 
 	for(j=2;j<argc;j++) {
 
@@ -55,8 +57,10 @@ int main(int argc,char **argv) {
 			return ret;
 		}
 
-		moldyn.cutoff*=2;
-		moldyn.cutoff_square*=4;
+		//moldyn.cutoff*=2;
+		//moldyn.cutoff_square*=4;
+		moldyn.cutoff=6.0;
+		moldyn.cutoff_square=36.0;
 
 		slots=moldyn.cutoff/dr;
 		printf("[pair corr calc]\n");
diff --git a/potentials/albe.h b/potentials/albe.h
index 14d7af6..89cdae2 100644
--- a/potentials/albe.h
+++ b/potentials/albe.h
@@ -89,6 +89,8 @@ int albe_mult_3bp_j2(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc);
 int albe_mult_3bp_k2(t_moldyn *moldyn,
                      t_atom *ai,t_atom *aj,t_atom *ak,u8 bc);
 int albe_mult_check_2b_bond(t_moldyn *moldyn,t_atom *itom,t_atom *jtom,u8 bc);
+/* fast */
+int albe_potential_force_calc(t_moldyn *moldyn);
 
 /* albe potential parameter defines */