return cn*pow(x, -npow)-c6*pow(x, -6)+qq*ONE_4PI_EPS0/x;
}
-real bhpot(real x, real qq, real A, real B, real C)
+real bhpot(real x, real A, real B, real C)
{
return A*exp(-B*x) - C*pow(x, -6.0);
}
x = sigfac*sig+sig*i*0.02;
dp[next] = dpot(x, qq, c6, cn, npow);
fprintf(fp, "%10g %10g %10g\n", x, pot(x, qq, c6, cn, npow),
- bhpot(x, qq, Abh, Bbh, Cbh));
+ bhpot(x, Abh, Bbh, Cbh));
if (qq != 0)
{
if ((i > 0) && (dp[cur]*dp[next] < 0))