X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=potentials%2Falbe.c;h=08ce4faf70518302c84462bba793370b74a0fcd2;hb=a198ee2eb93c0f14bdaea14722f4d98e5890935f;hp=02c254fd745aa863ea3a0cb843c086de0fcddc5e;hpb=37d949bdf2aaff618e70e6fd973ef350f4dacf12;p=physik%2Fposic.git

diff --git a/potentials/albe.c b/potentials/albe.c
index 02c254f..08ce4fa 100644
--- a/potentials/albe.c
+++ b/potentials/albe.c
@@ -96,6 +96,15 @@ int albe_mult_set_params(t_moldyn *moldyn,int element1,int element2) {
 	p->S2[0]=p->S[0]*p->S[0];
 	p->S2[1]=p->S[1]*p->S[1];
 	p->S2mixed=p->Smixed*p->Smixed;
+	p->c2[0]=p->c[0]*p->c[0];
+	p->c2[1]=p->c[1]*p->c[1];
+	p->c2_mixed=p->c_mixed*p->c_mixed;
+	p->d2[0]=p->d[0]*p->d[0];
+	p->d2[1]=p->d[1]*p->d[1];
+	p->d2_mixed=p->d_mixed*p->d_mixed;
+	p->c2d2[0]=p->c2[0]/p->d2[0];
+	p->c2d2[1]=p->c2[1]/p->d2[1];
+	p->c2d2_m=p->c2_mixed/p->d2_mixed;
 
 	printf("[albe] mult parameter info:\n");
 	printf("  S (A)  | %f | %f | %f\n",p->S[0],p->S[1],p->Smixed);