/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2018,2019, by the GROMACS development team, led by
+ * Copyright (c) 2018,2019,2020, 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.
}
{
writer->writeLine(formatString("A system of %d molecules (%d atoms) was simulated.",
- gmx_mtop_num_molecules(top), top.natoms - nvsite));
+ gmx_mtop_num_molecules(top),
+ top.natoms - nvsite));
}
if (nvsite)
{
{
writeHeader(writer, "Simulation settings", "subsection", writeFormattedText);
writer->writeLine(formatString("A total of %g ns were simulated with a time step of %g fs.",
- ir.nsteps * ir.delta_t * 0.001, 1000 * ir.delta_t));
+ ir.nsteps * ir.delta_t * 0.001,
+ 1000 * ir.delta_t));
writer->writeLine(formatString("Neighbor searching was performed every %d steps.", ir.nstlist));
writer->writeLine(formatString("The %s algorithm was used for electrostatic interactions.",
EELTYPE(ir.coulombtype)));
writer->writeLine(
formatString("A reciprocal grid of %d x %d x %d cells was used with %dth order "
"B-spline interpolation.",
- ir.nkx, ir.nky, ir.nkz, ir.pme_order));
+ ir.nkx,
+ ir.nky,
+ ir.nkz,
+ ir.pme_order));
}
writer->writeLine(formatString(
"A single cut-off of %g nm was used for Van der Waals interactions.", ir.rlist));