ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

update a few more rounding cases with std::lround()

Browse Source
This commit is contained in:
Axel Kohlmeyer
2025-06-23 23:17:14 -04:00
parent f7f5a3e3e4
commit 8c12ab5db0
3 changed files with 12 additions and 10 deletions
Download Patch File Download Diff File Expand all files Collapse all files

12
src/LATBOLTZ/fix_lb_fluid.cpp
View File

@ -438,9 +438,9 @@ FixLbFluid::FixLbFluid(LAMMPS *lmp, int narg, char **arg) :
//-------------------------------------------------------------------------- //--------------------------------------------------------------------------
// Set the total number of grid points in each direction. // Set the total number of grid points in each direction.
//-------------------------------------------------------------------------- //--------------------------------------------------------------------------
Nbx = (int) (domain->xprd / dx_lb + 0.5); Nbx = std::lround(domain->xprd / dx_lb);
Nby = (int) (domain->yprd / dx_lb + 0.5); Nby = std::lround(domain->yprd / dx_lb);
Nbz = (int) (domain->zprd / dx_lb + 0.5); Nbz = std::lround(domain->zprd / dx_lb);
//-------------------------------------------------------------------------- //--------------------------------------------------------------------------
// Set the number of grid points in each dimension for the local subgrids. // Set the number of grid points in each dimension for the local subgrids.
@ -739,9 +739,9 @@ void FixLbFluid::init()
// between runs. // between runs.
//-------------------------------------------------------------------------- //--------------------------------------------------------------------------
int Nbx_now, Nby_now, Nbz_now; int Nbx_now, Nby_now, Nbz_now;
Nbx_now = (int) (domain->xprd / dx_lb + 0.5); Nbx_now = std::lround(domain->xprd / dx_lb);
Nby_now = (int) (domain->yprd / dx_lb + 0.5); Nby_now = std::lround(domain->yprd / dx_lb);
Nbz_now = (int) (domain->zprd / dx_lb + 0.5); Nbz_now = std::lround(domain->zprd / dx_lb);
// If there are walls in the z-direction add an extra grid point. // If there are walls in the z-direction add an extra grid point.
if (domain->periodicity[2] == 0) { Nbz_now += 1; } if (domain->periodicity[2] == 0) { Nbz_now += 1; }

6
src/SRD/fix_srd.cpp
View File

@ -3113,9 +3113,9 @@ void FixSRD::setup_velocity_bins()
{ {
// require integer # of bins across global domain // require integer # of bins across global domain
nbin1x = static_cast<int>(domain->xprd / gridsrd + 0.5); nbin1x = std::lround(domain->xprd / gridsrd);
nbin1y = static_cast<int>(domain->yprd / gridsrd + 0.5); nbin1y = std::lround(domain->yprd / gridsrd);
nbin1z = static_cast<int>(domain->zprd / gridsrd + 0.5); nbin1z = std::lround(domain->zprd / gridsrd);
if (dimension == 2) nbin1z = 1; if (dimension == 2) nbin1z = 1;
if (nbin1x == 0) nbin1x = 1; if (nbin1x == 0) nbin1x = 1;

4
src/tabular_function.h
View File

@ -14,6 +14,8 @@
#ifndef LMP_TABULAR_FUNCTION_H #ifndef LMP_TABULAR_FUNCTION_H
#define LMP_TABULAR_FUNCTION_H #define LMP_TABULAR_FUNCTION_H
#include <cmath>
namespace LAMMPS_NS { namespace LAMMPS_NS {
class TabularFunction { class TabularFunction {
public: public:
@ -35,7 +37,7 @@ class TabularFunction {
void value(double x, double &y, int ny, double &y1, int ny1) void value(double x, double &y, int ny, double &y1, int ny1)
{ {
double ps = (x - xmin) * rdx; double ps = (x - xmin) * rdx;
int ks = ps + 0.5; int ks = std::lround(ps);
if (ks > size - 1) ks = size - 1; if (ks > size - 1) ks = size - 1;
if (ks < 0) ks = 0; if (ks < 0) ks = 0;
ps = ps - ks; ps = ps - ks;