NVE（:エネルギー制御）
引用元:
lammps_nve/nve.input at main · kaityo256/lammps_nve
NVEとNVTのサンプル. Contribute to kaityo256/lammps_nve development by creating an account on GitHub.
github.com
- nve.input
# 3d Lennard-Jones melt
units lj
atom_style atomic
timestep 0.01
lattice fcc 0.8442
region box block 0 10 0 10 0 10
create_box 1 box
create_atoms 1 box
mass 1 1.0
velocity all create 1.0 1 loop geom
pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0 2.5
#neighbor 0.3 bin
#neigh_modify every 20 delay 0 check no
fix 1 all nve
thermo 100
run 5000NVT（: 温度制御）
引用元:
lammps_nve/nvt.input at main · kaityo256/lammps_nve
NVEとNVTのサンプル. Contribute to kaityo256/lammps_nve development by creating an account on GitHub.
github.com
- nvt.input
# 3d Lennard-Jones melt
units lj
atom_style atomic
lattice fcc 0.8442
region box block 0 20 0 20 0 20
create_box 1 box
create_atoms 1 box
mass 1 1.0
velocity all create 1.0 1 loop geom
pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0 2.5
fix 1 all nvt temp 1.0 1.0 0.05
thermo 10
run 500
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