pair_coefflj/cut

2021年2月18日 — pair_style lj/cut 10 pair_coeff * * 0.02 3.12 pair_coeff 1 3 0.03 3.22 8.5 上面两句指定全部原子之间的lj/cut力场，截断半径为10，epsilon=0.02 ...

2021年2月18日 — pair_style lj/cut 10 pair_coeff * * 0.02 3.12 pair_coeff 1 3 0.03 3.22 8.5. 上面两句指定全部原子之间的lj/cut力场，截断半径为10，epsilon=0.02 ...

Description: Specify the pairwise force field coefficients for one or more pairs of atom types. The number and meaning of the coefficients depends on the pair ...

Specify the pairwise force field coefficients for one or more pairs of atom types. The number and meaning of the coefficients depends on the pair style. Pair ...

2022年10月17日 — This is an oversight in the documentation. When you use a long-range Coulomb interaction, only the global Coulomb cutoff may be defined.

pair_style lj command ... Rc is the cutoff. The following coefficients must be defined for each pair of particle types via the pair_coeff command, or by mixing as ...

The lj/cut pair styles support the use of the inner, middle, and outer keywords of the run_style respa command, meaning the pairwise forces can be partitioned ...

The lj/cut pair styles support the use of the inner, middle, and outer keywords of the run_style respa command, meaning the pairwise forces can be partitioned ...