Code cleanup (7a33d1e3) · Commits · 郑智淋 / lammps

src/KSPACE/ewald_dipole_spin.cpp

+0 −1

Original line number	Diff line number	Diff line
		@@ -53,7 +53,6 @@ EwaldDipoleSpin::EwaldDipoleSpin(LAMMPS *lmp) :
		mub = 9.274e-4; // in A.Ang^2
		mu_0 = 785.15; // in eV/Ang/A^2
		mub2mu0 = mub * mub * mu_0 / (4.0*MY_PI); // in eV.Ang^3
		//mub2mu0 = mub * mub * mu_0 / (4.0*MY_PI); // in eV
		mub2mu0hbinv = mub2mu0 / hbar; // in rad.THz
		}

+0 −5

Original line number	Diff line number	Diff line
		@@ -72,8 +72,6 @@ PPPMDipoleSpin::PPPMDipoleSpin(LAMMPS *lmp) :
		mub = 9.274e-4; // in A.Ang^2
		mu_0 = 785.15; // in eV/Ang/A^2
		mub2mu0 = mub * mub * mu_0 / (4.0*MY_PI); // in eV.Ang^3
		//mub2mu0 = mub * mub * mu_0 / (4.0*MY_PI); // in eV
		mub2mu0 = mub * mub * mu_0 / (4.0*MY_PI); // in eV
		mub2mu0hbinv = mub2mu0 / hbar; // in rad.THz
		}

		@@ -107,9 +105,6 @@ void PPPMDipoleSpin::init()
		// error check

		spinflag = atom->sp?1:0;
		//qsum_qsq(0); // q[i] is probably not declared ?
		//if (spinflag && q2)
		// error->all(FLERR,"Cannot use charges with Kspace style PPPMDipoleSpin");

		triclinic_check();

+0 −8

Original line number	Diff line number	Diff line
		@@ -305,13 +305,6 @@ void FixNVESpin::initial_integrate(int /vflag/)
		}
		}

		// update fm_kspace if long-range
		// remove short-range comp. of fm_kspace

		if (long_spin_flag) {

		}

		// update half s for all atoms

		if (sector_flag) { // sectoring seq. update
		@@ -451,7 +444,6 @@ void FixNVESpin::ComputeInteractionsSpin(int i)

		double **sp = atom->sp;
		double **fm = atom->fm;
		//double **fm_long = atom->fm_long;

		// force computation for spin i