Commit 816546d0 authored by julient31's avatar julient31
Browse files

Commit3 JT 110419 

- comments in precession
parent 74e502eb

src/SPIN/compute_spin.cpp

+1 −1
Original line number Diff line number Diff line
@@ -104,7 +104,7 @@ void ComputeSpin::compute_vector() 
        mag[0] += sp[i][0];

        mag[1] += sp[i][1];

        mag[2] += sp[i][2];

        magenergy -= (sp[i][0]*fm[i][0] + sp[i][1]*fm[i][1] + sp[i][2]*fm[i][2]);

        magenergy -= 2.0*(sp[i][0]*fm[i][0] + sp[i][1]*fm[i][1] + sp[i][2]*fm[i][2]);

        tx = sp[i][1]*fm[i][2]-sp[i][2]*fm[i][1];

        ty = sp[i][2]*fm[i][0]-sp[i][0]*fm[i][2];

        tz = sp[i][0]*fm[i][1]-sp[i][1]*fm[i][0];

src/SPIN/fix_precession_spin.cpp

+0 −2
Original line number Diff line number Diff line
@@ -240,7 +240,6 @@ void FixPrecessionSpin::post_force(int /* vflag */) 
  }



  int *mask = atom->mask;

  double *emag = atom->emag;

  double **fm = atom->fm;

  double **sp = atom->sp;

  const int nlocal = atom->nlocal;
@@ -272,7 +271,6 @@ void FixPrecessionSpin::post_force(int /* vflag */) 
      }



      eprec += epreci;

      emag[i] += epreci;

      fm[i][0] += fmi[0];

      fm[i][1] += fmi[1];

      fm[i][2] += fmi[2];

src/SPIN/pair_spin_exchange.cpp

+2 −0
Original line number Diff line number Diff line
@@ -351,6 +351,8 @@ void PairSpinExchange::compute_exchange(int i, int j, double rsq, double fmi[3], 
  Jex *= (1.0-J2[itype][jtype]*ra);

  Jex *= exp(-ra);



  printf("Exchange : %g %g \n",Jex,Jex*hbar);



  fmi[0] += 2.0*Jex*spj[0];

  fmi[1] += 2.0*Jex*spj[1];

  fmi[2] += 2.0*Jex*spj[2];

src/SPIN/fix_langevin_spin.h

+8 −8

File changed.

Contains only whitespace changes.

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