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Commit Julien 10/19/2017

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- New files for the pair interactions
- New files for the documentation
- Spin orbit coupling via Neel approach
This commit is contained in:
julient31
2017-10-19 09:33:09 -06:00
parent 54832a8fe4
commit 72d9795d7f
27 changed files with 23060 additions and 187 deletions
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15
src/SPIN/compute_spin.cpp
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@ -100,14 +100,14 @@ 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];
magenergy += sp[i][1]*fm[i][1];
magenergy += sp[i][2]*fm[i][2];
magenergy -= sp[i][0]*fm[i][0];
magenergy -= sp[i][1]*fm[i][1];
magenergy -= 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];
tempnum += tx*tx+ty*ty+tz*tz;
tempdenom += sp[i][0]*sp[i][0]+sp[i][1]*sp[i][1]+sp[i][2]*sp[i][2];
tempdenom += sp[i][0]*fm[i][0]+fm[i][1]*sp[i][1]+sp[i][2]*fm[i][2];
countsp++;
}
}
@ -124,15 +124,16 @@ void ComputeSpin::compute_vector()
magtot[0] *= scale;
magtot[1] *= scale;
magtot[2] *= scale;
magtot[3] = sqrt(square(magtot[0])+square(magtot[1])+square(magtot[2]));
spintemperature = hbar*tempnumtot/2.0/kb/tempdenomtot;
magtot[3] = sqrt((magtot[0]*magtot[0])+(magtot[1]*magtot[1])+(magtot[2]*magtot[2]));
spintemperature = hbar*tempnumtot;
spintemperature /= (2.0*kb*tempdenomtot);
vector[0] = invoked_vector*update->dt;
vector[1] = magtot[0];
vector[2] = magtot[1];
vector[3] = magtot[2];
vector[4] = magtot[3];
vector[5] = -0.5*magenergytot*hbar;
vector[5] = magenergytot*hbar;
vector[6] = spintemperature;
}