Files
lammps/examples/amoeba/amoeba_water_box.key
2022-07-05 11:20:15 -04:00

20 lines
228 B
Plaintext

!! DATE: 2022-07-05 UNITS: real
parameters ./amoeba.prm
digits 10
openmp-threads 1
ewald
ewald-alpha 0.4
pewald-alpha 0.5
pme-grid 24 24 24
neighbor-list
a-axis 18.643
cutoff 7
taper 6
polar-eps 1e-5
usolve-diag 1.0