new structure (skipped 2 inlines) same code!

[physik/posic.git] / potentials / tersoff.c

diff --git a/potentials/tersoff.c b/potentials/tersoff.c
index 87bb187..972075d 100644 (file)
--- a/potentials/tersoff.c
+++ b/potentials/tersoff.c
@@ -17,7 +17,7 @@
 
 #include "../moldyn.h"
 #include "../math/math.h"
-//#include "tersoff.h"
+#include "tersoff.h"
 
 /* create mixed terms from parameters and set them */
 int tersoff_mult_complete_params(t_tersoff_mult_params *p) {
@@ -59,7 +59,7 @@ int tersoff_mult_1bp(t_moldyn *moldyn,t_atom *ai) {
        t_tersoff_exchange *exchange;
        
        brand=ai->brand;
-       params=moldyn->pot1b_params;
+       params=moldyn->pot_params;
        exchange=&(params->exchange);
 
        /*
@@ -95,7 +95,7 @@ int tersoff_mult_2bp(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc) {
        double s_r;
        double arg;
 
-       params=moldyn->pot2b_params;
+       params=moldyn->pot_params;
        brand=aj->brand;
        exchange=&(params->exchange);
 
@@ -281,7 +281,7 @@ int tersoff_mult_post_2bp(t_moldyn *moldyn,t_atom *ai,t_atom *aj,u8 bc) {
        double chi,ni,betaini,nj,betajnj;
        double zeta;
 
-       params=moldyn->pot2b_params;
+       params=moldyn->pot_params;
        exchange=&(params->exchange);
 
        /* we do not run if f_c_ij was detected to be 0! */
@@ -430,7 +430,7 @@ int tersoff_mult_3bp(t_moldyn *moldyn,t_atom *ai,t_atom *aj,t_atom *ak,u8 bc) {
        double tmp;
        int brand;
 
-       params=moldyn->pot3b_params;
+       params=moldyn->pot_params;
        exchange=&(params->exchange);
 
        if(!(exchange->run3bp))