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added angle calc (acos problem still existing)
[physik/posic.git]
/
pair_correlation_calc.c
diff --git
a/pair_correlation_calc.c
b/pair_correlation_calc.c
index
cfe14e2
..
26db76b
100644
(file)
--- 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;
dr=atof(argv[1]);
first=1;
+ stat=NULL;
+ total=NULL;
for(j=2;j<argc;j++) {
for(j=2;j<argc;j++) {
@@
-55,8
+57,10
@@
int main(int argc,char **argv) {
return ret;
}
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");
slots=moldyn.cutoff/dr;
printf("[pair corr calc]\n");