diff --git a/src/SPIN/compute_spin.cpp b/src/SPIN/compute_spin.cpp index ba553335bb..d4053284ce 100644 --- a/src/SPIN/compute_spin.cpp +++ b/src/SPIN/compute_spin.cpp @@ -69,6 +69,7 @@ ComputeSpin::~ComputeSpin() { memory->destroy(vector); delete [] spin_pairs; + delete [] lockprecessionspin; } /* ---------------------------------------------------------------------- */ diff --git a/src/SPIN/fix_langevin_spin.cpp b/src/SPIN/fix_langevin_spin.cpp index f8aacc0c5c..88af6d8dfd 100644 --- a/src/SPIN/fix_langevin_spin.cpp +++ b/src/SPIN/fix_langevin_spin.cpp @@ -109,7 +109,8 @@ void FixLangevinSpin::init() double hbar = force->hplanck/MY_2PI; // eV/(rad.THz) double kb = force->boltz; // eV/K - D = (alpha_t*gil_factor*kb*temp); + //D = (alpha_t*gil_factor*kb*temp); + D = (alpha_t*(1.0+(alpha_t)*(alpha_t))*kb*temp); D /= (hbar*dts); sigma = sqrt(2.0*D); }