*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
{
for (j = i+1; (j < nind); j++)
{
- temp1_3 = gmx::invcbrt(dtot1_3[i][j]/nframes);
- temp1_6 = gmx::invsixthroot(dtot1_6[i][j]/nframes);
+ temp1_3 = gmx::invcbrt(dtot1_3[i][j]/static_cast<real>(nframes));
+ temp1_6 = gmx::invsixthroot(dtot1_6[i][j]/static_cast<real>(nframes));
if (temp1_3 > *max1_3)
{
*max1_3 = temp1_3;
{
for (j = i+1; j < gnr; j++)
{
- noe[i][j].r_3 = gmx::invcbrt(noe[i][j].i_3/noe[i][j].nr);
- noe[i][j].r_6 = gmx::invsixthroot(noe[i][j].i_6/noe[i][j].nr);
+ noe[i][j].r_3 = gmx::invcbrt(noe[i][j].i_3/static_cast<real>(noe[i][j].nr));
+ noe[i][j].r_6 = gmx::invsixthroot(noe[i][j].i_6/static_cast<real>(noe[i][j].nr));
noe[j][i] = noe[i][j];
}
}
{
for (j = i+1; (j < nind); j++)
{
- mean = dtot[i][j]/nframes;
- mean2 = dtot2[i][j]/nframes;
+ mean = dtot[i][j]/static_cast<real>(nframes);
+ mean2 = dtot2[i][j]/static_cast<real>(nframes);
rms = std::sqrt(std::max(0.0_real, mean2-mean*mean));
rmsc = rms/mean;
if (mean > *meanmax)