@@ -1759,7 +1759,7 @@ void SOGKSpace::compute_single(int eflag, int vflag) {
17591759 // a1 = [Lx, 0, 0], a2 = [xy, Ly, 0], a3 = [xz, yz, Lz]
17601760 double xy = domain->xy , xz_d = domain->xz , yz = domain->yz ;
17611761 double V = Lx * Ly * Lz;
1762- double twopi_over_V = 2.0 * M_PI / V;
1762+ double twopi_over_V = 2.0 * MY_PI / V;
17631763
17641764 // |b1|² from a2×a3 = [Ly·Lz, −xy·Lz, xy·yz − Ly·xz]
17651765 double b1_sq = (Ly*Lz)*(Ly*Lz) + (xy*Lz)*(xy*Lz)
@@ -1776,7 +1776,7 @@ void SOGKSpace::compute_single(int eflag, int vflag) {
17761776 k_min_sq = std::min ({b1_sq, b2_sq, b3_sq});
17771777 } else {
17781778 double L_max = std::max ({Lx, Ly, Lz});
1779- k_min_sq = (2.0 * M_PI / L_max) * (2.0 * M_PI / L_max);
1779+ k_min_sq = (2.0 * MY_PI / L_max) * (2.0 * MY_PI / L_max);
17801780 }
17811781
17821782 double kfac_eff = 0.0 ;
@@ -1816,16 +1816,16 @@ void SOGKSpace::compute_single(int eflag, int vflag) {
18161816 if (rd > max_rel_diff) max_rel_diff = rd;
18171817 }
18181818 }
1819- if (comm->me == 0 && max_rel_diff > 0.0001 ) {
1820- std::string msg = fmt::format (
1821- " SOG virial: max |force·r - Fourier|/max = {:.6f}\n "
1822- " force·r: {:12.4f} {:12.4f} {:12.4f} {:12.4f} {:12.4f} {:12.4f}\n "
1823- " Fourier: {:12.4f} {:12.4f} {:12.4f} {:12.4f} {:12.4f} {:12.4f}\n " ,
1824- max_rel_diff,
1825- vr_all[0 ], vr_all[1 ], vr_all[2 ], vr_all[3 ], vr_all[4 ], vr_all[5 ],
1826- virial[0 ], virial[1 ], virial[2 ], virial[3 ], virial[4 ], virial[5 ]);
1827- utils::logmesg (lmp, msg);
1828- }
1819+ // if (comm->me == 0 && max_rel_diff > 0.0001) {
1820+ // std::string msg = fmt::format(
1821+ // " SOG virial: max |force·r - Fourier|/max = {:.6f}\n"
1822+ // " force·r: {:12.4f} {:12.4f} {:12.4f} {:12.4f} {:12.4f} {:12.4f}\n"
1823+ // " Fourier: {:12.4f} {:12.4f} {:12.4f} {:12.4f} {:12.4f} {:12.4f}\n",
1824+ // max_rel_diff,
1825+ // vr_all[0], vr_all[1], vr_all[2], vr_all[3], vr_all[4], vr_all[5],
1826+ // virial[0], virial[1], virial[2], virial[3], virial[4], virial[5]);
1827+ // utils::logmesg(lmp, msg);
1828+ // }
18291829 }
18301830}
18311831
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