fix mass and nve/asphere

1. Set mass to 1. The radius is 1/2, so the density must be
   1/(4/3 pi 1/2^3)
2. Use nve/asphere instead of nve. Else, the particle's orientation are
   not integrated.
This commit is contained in:
Pierre de Buyl 2020-01-20 12:48:26 +01:00
parent 074e18d9cb
commit af1e797271
1 changed files with 2 additions and 2 deletions

View File

@ -18,11 +18,11 @@ pair_coeff * * 1.0 1.0
pair_modify shift yes
# mass * 1.0
set type * density 1.0
set type * shape 1.0 1.0 1.0
set type * density 1.9098593171027443
set type * quat 0 0 1 0
fix step all nve
fix step all nve/asphere
fix temp all langevin 1.0 1.0 1.0 13 angmom 3.333333333
neighbor 0.6 bin