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
 
-#define ALBE_MAXN      16*27
+#define ALBE_MAXN      (4*27)
 
 /* 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 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;
@@ -62,9 +62,15 @@ typedef struct s_albe_mult_params {
        double gamma[2];
        double gamma_m;
        double c[2];
+       double c2[2];
        double c_mixed;
+       double c2_mixed;
        double d[2];
+       double d2[2];
        double d_mixed;
+       double d2_mixed;
+       double c2d2[2];
+       double c2d2_m;
        double h[2];
        double h_mixed;