JT190922, C1:

- correction of a memory issue in compute_spin.cpp
- correction of the Langevin calculation in fix_langevin_spin.cpp

src/SPIN/compute_spin.cpp

@@ -69,6 +69,7 @@ ComputeSpin::~ComputeSpin()
 {
   memory->destroy(vector);
   delete [] spin_pairs;
+  delete [] lockprecessionspin;
 }
 
 /* ---------------------------------------------------------------------- */

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);
 }