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First version of the tutorial for spin simulations

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This commit is contained in:
julient31
2017-08-16 09:31:24 -06:00
parent 98a22c2b55
commit 023b018ed2
2 changed files with 2 additions and 18 deletions
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1
doc/src/tutorials.txt
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@ -9,6 +9,7 @@ Tutorials :h1
tutorial_github
tutorial_pylammps
tutorial_bash_on_windows
tutorial_spin
body
manifolds

19
src/SPIN/fix_nve_spin.cpp
View File

@ -450,23 +450,6 @@ int FixNVESpin::coords2sector(double *xi)
seci[1] = static_cast<int>(riy);
seci[2] = static_cast<int>(riz);
/*
if (nsectors == 1) {
nseci = 0;
} else if (nsectors == 2) {
nseci = seci[0] + seci[1] + seci[2];
} else if (nsectors == 4) {
if (sec[1]*sec[2] == 4) { //plane normal to x
nseci = (seci[1] + 2*seci[2]);
} else if (sec[0]*sec[2] == 4) { //plane normal to y
nseci = (seci[0] + 2*seci[2]);
} else if (sec[0]*sec[1] == 4) { //plane normal to z
nseci = (seci[0] + 2*seci[1]);
}
} else if (nsectors == 8) {
nseci = (seci[0] + 2*seci[1] + 4*seci[2]);
}
*/
nseci = (seci[0] + 2*seci[1] + 4*seci[2]);
return nseci;
@ -539,6 +522,6 @@ void FixNVESpin::final_integrate()
v[i][0] += dtfm * f[i][0];
v[i][1] += dtfm * f[i][1];
v[i][2] += dtfm * f[i][2];
}
}
}
}