diff --git a/collision.c b/collision.c index c94637d..8fae0a8 100644 --- a/collision.c +++ b/collision.c @@ -349,23 +349,31 @@ double ar85cea(int i, int j, int k, struct Atom *atom) if(!strcmp(atom->ID, "CA") && ichrge == 0) { iea = 25.; - a = 9.8e-17; + a = 6.0e-17; b = 1.12; + y = iea / bkt; + f1y = fone(y); cup = 6.69E+7 * a * iea / sqrt(bkt) * exp(-y)*(1.0 + b*f1y); } else if (!strcmp(atom->ID, "CA") && ichrge == 1) { - a = 6.0e-17; + a = 9.8e-17; iea = 25.0; b = 1.12; + y = iea / bkt; + f1y = fone(y); cup = 6.69E+7 * a * iea / sqrt(bkt) * exp(-y)*(1.0 + b*f1y); } else if (!strcmp(atom->ID, "FE") && ichrge == 3) { a = 1.8E-17; iea = 60.0; b = 1.0; + y = iea / bkt; + f1y = fone(y); cup = 6.69e+7 * a * iea / sqrt(bkt) * exp(-y)*(1.0 + b*f1y); } else if (!strcmp(atom->ID, "FE") && ichrge == 4) { - a = 5.0E-17; + a = 5.0E-18; iea = 73.0; b = 1.0; + y = iea / bkt; + f1y = fone(y); cup = 6.69E+7 * a * iea / sqrt(bkt) * exp(-y)*(1.0 + b*f1y); }