{
i++;
beta *= 2;
- }
- while (std::erfc(beta*rc) > rtol);
+ } while (std::erfc(beta * rc) > rtol);
/* Do a binary search with tolerance 2^-60 */
- n = i+60;
+ n = i + 60;
low = 0;
high = beta;
for (i = 0; i < n; i++)
{
- beta = (low+high)/2;
- if (std::erfc(beta*rc) > rtol)
+ beta = (low + high) / 2;
+ if (std::erfc(beta * rc) > rtol)
{
low = beta;
}
static real compute_lj_function(real beta, real rc)
{
real xrc, xrc2, xrc4, result;
- xrc = beta*rc;
- xrc2 = xrc*xrc;
- xrc4 = xrc2*xrc2;
- result = std::exp(-xrc2)*(1 + xrc2 + xrc4/2.0);
+ xrc = beta * rc;
+ xrc2 = xrc * xrc;
+ xrc4 = xrc2 * xrc2;
+ result = std::exp(-xrc2) * (1 + xrc2 + xrc4 / 2.0);
return result;
}
{
i++;
beta *= 2.0;
- }
- while (compute_lj_function(beta, rc) > rtol);
+ } while (compute_lj_function(beta, rc) > rtol);
/* Do a binary search with tolerance 2^-60 */
n = i + 60;