diff --git a/src/SPIN/compute_spin.cpp b/src/SPIN/compute_spin.cpp index 47d88b6c64338ce0fe29dd5bb636c067cfb9a933..ab3bab2487b5c96386ae2910de3f6241ebb013f3 100644 --- a/src/SPIN/compute_spin.cpp +++ b/src/SPIN/compute_spin.cpp @@ -132,7 +132,6 @@ void ComputeSpin::compute_vector() magtot[2] *= scale; magtot[3] = sqrt((magtot[0]*magtot[0])+(magtot[1]*magtot[1])+(magtot[2]*magtot[2])); spintemperature = hbar*tempnumtot; - //spintemperature /= (2.0*kb*tempdenomtot); spintemperature /= (kb*tempdenomtot); vector[0] = magtot[0]; diff --git a/src/SPIN/fix_langevin_spin.cpp b/src/SPIN/fix_langevin_spin.cpp index b4e7f6765371607c4970072492f22b667e8bff85..d12ec112379f759c8e4558c0dfbd7e5cf983e7f7 100644 --- a/src/SPIN/fix_langevin_spin.cpp +++ b/src/SPIN/fix_langevin_spin.cpp @@ -134,10 +134,8 @@ void FixLangevinSpin::init() double hbar = force->hplanck/MY_2PI; // eV/(rad.THz) double kb = force->boltz; // eV/K D = (MY_2PI*alpha_t*gil_factor*kb*temp); - //D = (alpha_t*gil_factor*kb*temp); D /= (hbar*dts); sigma = sqrt(2.0*D); - //sigma = sqrt(D); } /* ---------------------------------------------------------------------- */ @@ -176,11 +174,6 @@ void FixLangevinSpin::add_temperature(double fmi[3]) double rx = sigma*(2.0*random->uniform() - 1.0); double ry = sigma*(2.0*random->uniform() - 1.0); double rz = sigma*(2.0*random->uniform() - 1.0); - //printf("test rd : %g \n",2.0*random->uniform() - 1.0); - //printf("test gaussian : %g \n", random->gaussian()); - //double rx = sigma*(random->gaussian()); - //double ry = sigma*(random->gaussian()); - //double rz = sigma*(random->gaussian()); // adding the random field