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use times inverse_np instead

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Yifan Li
2023-10-21 00:28:33 -04:00
parent 3d480a01a5
commit 80f72e7a1d
1 changed files with 1 additions and 1 deletions
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2
src/REPLICA/fix_pimd_langevin.cpp
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@ -1347,7 +1347,7 @@ void FixPIMDLangevin::compute_tote()
void FixPIMDLangevin::compute_t_prim()
{
t_prim = 1.5 * atom->natoms * np * force->boltz * temp - total_spring_energy / np;
t_prim = 1.5 * atom->natoms * np * force->boltz * temp - total_spring_energy * inverse_np;
}
/* ---------------------------------------------------------------------- */