ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Completing the correction in fix langevin/spin.

Browse Source
This commit is contained in:
Julien Tranchida
2022-09-26 07:44:32 +02:00
parent 90f26f05fc
commit ac6cb062e6
1 changed files with 0 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

1
src/SPIN/fix_langevin_spin.cpp
View File

@ -109,7 +109,6 @@ void FixLangevinSpin::init()
double hbar = force->hplanck/MY_2PI; // eV/(rad.THz) double hbar = force->hplanck/MY_2PI; // eV/(rad.THz)
double kb = force->boltz; // eV/K double kb = force->boltz; // eV/K
//D = (alpha_t*gil_factor*kb*temp);
D = (alpha_t*(1.0+(alpha_t)*(alpha_t))*kb*temp); D = (alpha_t*(1.0+(alpha_t)*(alpha_t))*kb*temp);
D /= (hbar*dts); D /= (hbar*dts);
sigma = sqrt(2.0*D); sigma = sqrt(2.0*D);