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replace static_cast<int>(val + 0.5) with C++11's std::lround()

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This commit is contained in:
Axel Kohlmeyer
2025-06-23 23:07:13 -04:00
parent d5d8887eb9
commit f7f5a3e3e4
8 changed files with 73 additions and 73 deletions
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7
src/APIP/pair_eam_apip.cpp
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@ -30,6 +30,8 @@
#include "potential_file_reader.h"
#include "update.h"
#include <cmath>
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
@ -686,10 +688,9 @@ void PairEAMAPIP::file2array()
}
// set nr,nrho from cutoff and spacings
// 0.5 is for round-off in divide
nr = static_cast<int>(rmax / dr + 0.5);
nrho = static_cast<int>(rhomax / drho + 0.5);
nr = std::lround(rmax / dr);
nrho = std::lround(rhomax / drho);
// ------------------------------------------------------------------
// setup frho arrays

2
src/GRANULAR/fix_pour.cpp
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@ -250,7 +250,7 @@ void FixPour::init()
delta = yhi - ylo;
}
double t = (-v_relative - sqrt(v_relative * v_relative - 2.0 * grav * delta)) / grav;
nfreq = static_cast<int>(t / update->dt + 0.5);
nfreq = std::lround(t / update->dt);
// 1st insertion on next timestep

5
src/MANYBODY/pair_eam.cpp
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@ -636,10 +636,9 @@ void PairEAM::file2array()
}
// set nr,nrho from cutoff and spacings
// 0.5 is for round-off in divide
nr = static_cast<int> (rmax/dr + 0.5);
nrho = static_cast<int> (rhomax/drho + 0.5);
nr = std::lround(rmax/dr);
nrho = std::lround(rhomax/drho);
// ------------------------------------------------------------------
// setup frho arrays

12
src/MC/fix_charge_regulation.cpp
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@ -1087,11 +1087,11 @@ int FixChargeRegulation::get_random_particle(int ptype, double charge, double rd
double dx, dy, dz, distance_check;
for (int i = 0; i < nlocal; i++) {
dx = fabs(atom->x[i][0] - target[0]);
dx -= static_cast<int>(1.0 * dx / (xhi - xlo) + 0.5) * (xhi - xlo);
dx -= std::lround(1.0 * dx / (xhi - xlo)) * (xhi - xlo);
dy = fabs(atom->x[i][1] - target[1]);
dy -= static_cast<int>(1.0 * dy / (yhi - ylo) + 0.5) * (yhi - ylo);
dy -= std::lround(1.0 * dy / (yhi - ylo)) * (yhi - ylo);
dz = fabs(atom->x[i][2] - target[2]);
dz -= static_cast<int>(1.0 * dz / (zhi - zlo) + 0.5) * (zhi - zlo);
dz -= std::lround(1.0 * dz / (zhi - zlo)) * (zhi - zlo);
distance_check = dx * dx + dy * dy + dz * dz;
if ((distance_check < rd * rd) && atom->type[i] == ptype &&
fabs(atom->q[i] - charge) < SMALL && atom->mask[i] != exclusion_group_bit) {
@ -1193,11 +1193,11 @@ int FixChargeRegulation::particle_number_xrd(int ptype, double charge, double rd
double dx, dy, dz, distance_check;
for (int i = 0; i < atom->nlocal; i++) {
dx = fabs(atom->x[i][0] - target[0]);
dx -= static_cast<int>(1.0 * dx / (xhi - xlo) + 0.5) * (xhi - xlo);
dx -= std::lround(1.0 * dx / (xhi - xlo)) * (xhi - xlo);
dy = fabs(atom->x[i][1] - target[1]);
dy -= static_cast<int>(1.0 * dy / (yhi - ylo) + 0.5) * (yhi - ylo);
dy -= std::lround(1.0 * dy / (yhi - ylo)) * (yhi - ylo);
dz = fabs(atom->x[i][2] - target[2]);
dz -= static_cast<int>(1.0 * dz / (zhi - zlo) + 0.5) * (zhi - zlo);
dz -= std::lround(1.0 * dz / (zhi - zlo)) * (zhi - zlo);
distance_check = dx * dx + dy * dy + dz * dz;
if ((distance_check < rd * rd) && atom->type[i] == ptype &&
fabs(atom->q[i] - charge) < SMALL && atom->mask[i] != exclusion_group_bit) {

2
src/compute_chunk_atom.cpp
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@ -1268,7 +1268,7 @@ int ComputeChunkAtom::setup_xyz_bins()
if (lo > hi) error->all(FLERR, Error::NOLASTLINE, "Invalid bin bounds in compute chunk/atom");
offset[m] = lo;
nlayers[m] = static_cast<int>((hi - lo) * invdelta[m] + 0.5);
nlayers[m] = std::lround((hi - lo) * invdelta[m]);
nbins *= nlayers[m];
}

16
src/image.cpp
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@ -469,7 +469,7 @@ void Image::draw_sphere(double *x, double *surfaceColor, double diameter)
double pixelWidth = (tanPerPixel > 0) ? tanPerPixel * dist :
-tanPerPixel / zoom;
double pixelRadiusFull = radius / pixelWidth;
int pixelRadius = static_cast<int> (pixelRadiusFull + 0.5) + 1;
int pixelRadius = std::lround(pixelRadiusFull) + 1;
double xf = xmap / pixelWidth;
double yf = ymap / pixelWidth;
@ -531,7 +531,7 @@ void Image::draw_cube(double *x, double *surfaceColor, double diameter)
double halfWidth = diameter;
double pixelHalfWidthFull = halfWidth / pixelWidth;
int pixelHalfWidth = static_cast<int> (pixelHalfWidthFull + 0.5);
int pixelHalfWidth = std::lround(pixelHalfWidthFull);
double xf = xmap / pixelWidth;
double yf = ymap / pixelWidth;
@ -670,8 +670,8 @@ void Image::draw_cylinder(double *x, double *y,
double pixelHalfWidthFull = (rasterWidth * 0.5) / pixelWidth;
double pixelHalfHeightFull = (rasterHeight * 0.5) / pixelWidth;
int pixelHalfWidth = static_cast<int> (pixelHalfWidthFull + 0.5);
int pixelHalfHeight = static_cast<int> (pixelHalfHeightFull + 0.5);
int pixelHalfWidth = std::lround(pixelHalfWidthFull);
int pixelHalfHeight = std::lround(pixelHalfHeightFull);
if (zaxis[0] == camDir[0] && zaxis[1] == camDir[1] && zaxis[2] == camDir[2])
return;
@ -818,10 +818,10 @@ void Image::draw_triangle(double *x, double *y, double *z, double *surfaceColor)
double pixelRightFull = rasterRight / pixelWidth;
double pixelDownFull = rasterDown / pixelWidth;
double pixelUpFull = rasterUp / pixelWidth;
int pixelLeft = static_cast<int> (pixelLeftFull + 0.5);
int pixelRight = static_cast<int> (pixelRightFull + 0.5);
int pixelDown = static_cast<int> (pixelDownFull + 0.5);
int pixelUp = static_cast<int> (pixelUpFull + 0.5);
int pixelLeft = std::lround(pixelLeftFull);
int pixelRight = std::lround(pixelRightFull);
int pixelDown = std::lround(pixelDownFull);
int pixelUp = std::lround(pixelUpFull);
for (int iy = yc - pixelDown; iy <= yc + pixelUp; iy ++) {
for (int ix = xc - pixelLeft; ix <= xc + pixelRight; ix ++) {