21. Atom IDs must be consecutive for velocity create loop all 删除原子后原子ID不连续无法create velocity,使用reset_atom_ids命令重新设置id 22. ERROR: Thermo keyword in variable requires thermo to use/init pe 在variable命令之后加个run 0 即可,可以初始化thermo keyword的值 23. Warning : Fix qeq C...
(FLERR,"Replicated system atom IDs are too big"); } if (nrep*old->natoms < 0 || nrep*old->natoms >= MAXBIGINT || nrep*old->nbonds < 0 || nrep*old->nbonds >= MAXBIGINT || nrep*old->nangles < 0 || nrep*old->nangles >= MAXBIGINT || nrep*old->ndihedrals < 0 |...
Public development project of the LAMMPS MD software package - Blaming lammps/src/atom.h at 40953643ec36308798a74100eff1a283536e8be1 · lammps/lammps
E: Potential file has duplicate entry @@ -110,45 +112,4 @@ E: Potential file is missing an entry The potential file for a SW or Tersoff potential does not have a needed entry. U: Pair style COMB requires atom IDs This is a requirement to use the AIREBO potential. U: Pair style ...
Public development project of the LAMMPS MD software package - Blaming lammps/src/atom.h at cc594c0613b263caf0d4549ee4cb6c7a3134774e · lammps/lammps