projects
/
physik
/
posic.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
|
inline
| side by side
started potentials
[physik/posic.git]
/
posic.h
diff --git
a/posic.h
b/posic.h
index
de0106d
..
8f306ec
100644
(file)
--- a/
posic.h
+++ b/
posic.h
@@
-20,7
+20,7
@@
#define RUNS 15000
#define TAU 0.001
#define RUNS 15000
#define TAU 0.001
-#define TEMPERATURE
0.0
+#define TEMPERATURE
273.0
#define SI_M 1
#define SI_LC 5.43105
#define SI_M 1
#define SI_LC 5.43105
@@
-29,9
+29,9
@@
#define LJ_SIGMA_06 (LJ_SIGMA_02*LJ_SIGMA_02*LJ_SIGMA_02)
#define LJ_SIGMA_12 (LJ_SIGMA_06*LJ_SIGMA_06)
#define LJ_SIGMA_06 (LJ_SIGMA_02*LJ_SIGMA_02*LJ_SIGMA_02)
#define LJ_SIGMA_12 (LJ_SIGMA_06*LJ_SIGMA_06)
-#define LEN_X
2
-#define LEN_Y
2
-#define LEN_Z
2
+#define LEN_X
1
+#define LEN_Y
1
+#define LEN_Z
1
#define R_CUTOFF 20
#define R2_CUTOFF (R_CUTOFF*R_CUTOFF)
#define R_CUTOFF 20
#define R2_CUTOFF (R_CUTOFF*R_CUTOFF)