#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/pleasecite.h"
-void calc_rffac(FILE *fplog, real eps_r, real eps_rf, real Rc,
- real *krf, real *crf)
+void calc_rffac(FILE* fplog, real eps_r, real eps_rf, real Rc, real* krf, real* crf)
{
/* eps == 0 signals infinite dielectric */
if (eps_rf == 0)
{
- *krf = 1/(2*Rc*Rc*Rc);
+ *krf = 1 / (2 * Rc * Rc * Rc);
}
else
{
- *krf = (eps_rf - eps_r)/(2*eps_rf + eps_r)/(Rc*Rc*Rc);
+ *krf = (eps_rf - eps_r) / (2 * eps_rf + eps_r) / (Rc * Rc * Rc);
}
- *crf = 1/Rc + *krf*Rc*Rc;
+ *crf = 1 / Rc + *krf * Rc * Rc;
if (fplog)
{
- fprintf(fplog, "%s:\n"
+ fprintf(fplog,
+ "%s:\n"
"epsRF = %g, rc = %g, krf = %g, crf = %g, epsfac = %g\n",
- eel_names[eelRF], eps_rf, Rc, *krf, *crf, ONE_4PI_EPS0/eps_r);
+ eel_names[eelRF], eps_rf, Rc, *krf, *crf, ONE_4PI_EPS0 / eps_r);
// Make sure we don't lose resolution in pow() by casting real arg to double
- real rmin = gmx::invcbrt(static_cast<double>(*krf*2.0));
- fprintf(fplog,
- "The electrostatics potential has its minimum at r = %g\n",
- rmin);
+ real rmin = gmx::invcbrt(static_cast<double>(*krf * 2.0));
+ fprintf(fplog, "The electrostatics potential has its minimum at r = %g\n", rmin);
}
}