X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=potentials%2Ftersoff.c;h=972075de6ec6d9fe7e07a1317304b82fc05034bf;hb=296a35b943e922173ce648ec76a4472e287af108;hp=87bb1874077c39ca7992030626de689ab1b0e57d;hpb=caa3bc828974c35df2462fde737c31c0a618ee4e;p=physik%2Fposic.git

diff --git a/potentials/tersoff.c b/potentials/tersoff.c
index 87bb187..972075d 100644
--- 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))