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new albe potential + new force calc routine (old potentials need to be
[physik/posic.git]
/
potentials
/
albe.h
diff --git
a/potentials/albe.h
b/potentials/albe.h
index
0e4d4ee
..
39c4df8
100644
(file)
--- a/
potentials/albe.h
+++ b/
potentials/albe.h
@@
-8,7
+8,7
@@
#ifndef ALBE_H
#define ALBE_H
#ifndef ALBE_H
#define ALBE_H
-#define ALBE_MAXN
16*27
+#define ALBE_MAXN
(4*27)
/* albe exchange type */
typedef struct s_albe_exchange {
/* albe exchange type */
typedef struct s_albe_exchange {
@@
-28,9
+28,9
@@
typedef struct s_albe_exchange {
double *gamma_[ALBE_MAXN];
double *c_[ALBE_MAXN];
double *d_[ALBE_MAXN];
double *gamma_[ALBE_MAXN];
double *c_[ALBE_MAXN];
double *d_[ALBE_MAXN];
- double c2_[ALBE_MAXN];
- double d2_[ALBE_MAXN];
- double c2d2_[ALBE_MAXN];
+ double
*
c2_[ALBE_MAXN];
+ double
*
d2_[ALBE_MAXN];
+ double
*
c2d2_[ALBE_MAXN];
double *h_[ALBE_MAXN];
double pre_dzeta;
double *h_[ALBE_MAXN];
double pre_dzeta;
@@
-62,9
+62,15
@@
typedef struct s_albe_mult_params {
double gamma[2];
double gamma_m;
double c[2];
double gamma[2];
double gamma_m;
double c[2];
+ double c2[2];
double c_mixed;
double c_mixed;
+ double c2_mixed;
double d[2];
double d[2];
+ double d2[2];
double d_mixed;
double d_mixed;
+ double d2_mixed;
+ double c2d2[2];
+ double c2d2_m;
double h[2];
double h_mixed;
double h[2];
double h_mixed;