reduce screen output precision (cfaa3be8) · Commits · 郑智淋 / lammps

src/KSPACE/ewald.cpp

+3 −3

Original line number	Diff line number	Diff line
		@@ -185,10 +185,10 @@ void Ewald::init()
		// stats

		if (comm->me == 0) {
		std::string mesg = fmt::format(" G vector (1/distance) = {}\n",g_ewald);
		mesg += fmt::format(" estimated absolute RMS force accuracy = {}\n",
		std::string mesg = fmt::format(" G vector (1/distance) = {:.8g}\n",g_ewald);
		mesg += fmt::format(" estimated absolute RMS force accuracy = {:.8g}\n",
		estimated_accuracy);
		mesg += fmt::format(" estimated relative force accuracy = {}\n",
		mesg += fmt::format(" estimated relative force accuracy = {:.8g}\n",
		estimated_accuracy/two_charge_force);
		mesg += fmt::format(" KSpace vectors: actual max1d max3d = {} {} {}\n",
		kcount,kmax,kmax3d);

+3 −3

Original line number	Diff line number	Diff line
		@@ -192,10 +192,10 @@ void EwaldDipole::init()
		// stats

		if (comm->me == 0) {
		std::string mesg = fmt::format(" G vector (1/distance) = {}\n",g_ewald);
		mesg += fmt::format(" estimated absolute RMS force accuracy = {}\n",
		std::string mesg = fmt::format(" G vector (1/distance) = {:.8g}\n",g_ewald);
		mesg += fmt::format(" estimated absolute RMS force accuracy = {:.8g}\n",
		estimated_accuracy);
		mesg += fmt::format(" estimated relative force accuracy = {}\n",
		mesg += fmt::format(" estimated relative force accuracy = {:.8g}\n",
		estimated_accuracy/two_charge_force);
		mesg += fmt::format(" KSpace vectors: actual max1d max3d = {} {} {}\n",
		kcount,kmax,kmax3d);

+3 −3

Original line number	Diff line number	Diff line
		@@ -182,10 +182,10 @@ void EwaldDipoleSpin::init()
		// stats

		if (comm->me == 0) {
		std::string mesg = fmt::format(" G vector (1/distance) = {}\n",g_ewald);
		mesg += fmt::format(" estimated absolute RMS force accuracy = {}\n",
		std::string mesg = fmt::format(" G vector (1/distance) = {:.8g}\n",g_ewald);
		mesg += fmt::format(" estimated absolute RMS force accuracy = {:.8g}\n",
		estimated_accuracy);
		mesg += fmt::format(" estimated relative force accuracy = {}\n",
		mesg += fmt::format(" estimated relative force accuracy = {:.8g}\n",
		estimated_accuracy/two_charge_force);
		mesg += fmt::format(" KSpace vectors: actual max1d max3d = {} {} {}\n",
		kcount,kmax,kmax3d);

+3 −3

Original line number	Diff line number	Diff line
		@@ -171,7 +171,7 @@ void EwaldDisp::init()
		"on system with no charge, dipole, or LJ particles");
		if (fabs(qsum) > SMALL && comm->me == 0)
		error->warning(FLERR,fmt::format("System is not charge neutral, "
		"net charge = {}",qsum));
		"net charge = {:.8g}",qsum));

		if (!function[1] && !function[2]) dispersionflag = 0;
		if (!function[3]) dipoleflag = 0;
		@@ -227,8 +227,8 @@ void EwaldDisp::init()
		}
		}

		if (!comm->me)
		utils::logmesg(lmp,fmt::format(" G vector = {}, accuracy = {}\n",
		if (comm->me == 0)
		utils::logmesg(lmp,fmt::format(" G vector = {:.8g}, accuracy = {:.8g}\n",
		g_ewald,accuracy));

		g_ewald_6 = g_ewald;

+2 −2

Original line number	Diff line number	Diff line
		@@ -205,9 +205,9 @@ void MSM::init()

		if (me == 0) {
		std::string mesg = fmt::format(" 3d grid size/proc = {}\n", ngrid_max);
		mesg += fmt::format(" estimated absolute RMS force accuracy = {}\n",
		mesg += fmt::format(" estimated absolute RMS force accuracy = {:.8g}\n",
		estimated_error);
		mesg += fmt::format(" estimated relative force accuracy = {}\n",
		mesg += fmt::format(" estimated relative force accuracy = {:.8g}\n",
		estimated_error/two_charge_force);
		mesg += fmt::format(" grid = {} {} {}\n",nx_msm[0],ny_msm[0],nz_msm[0]);
		mesg += fmt::format(" order = {}\n",order);