标题: 关于lammps的"Invalid force field file format"报错 [打印本页] 作者Author: rookie1 时间: 2024-1-26 17:59 标题: 关于lammps的"Invalid force field file format"报错 各位大佬晚上好，小弟最近正在用lammps关于SiO2的升温降温，in文件的前面的配置部分如下： # --------------------------initialzation ---------------------------
clear
units real
dimension 3
boundary p p f
atom_style charge
timestep 0.5
# ------------------------- atom defination --------------------------
read_data data.interface
# ------------------------- force fields -----------------------------
pair_style reaxff NULL safezone 3.0 mincap 150 # reax是旧版的
pair_coeff * * ffield.reax 6 3
region low block INF INF INF INF 0 16
region high block INF INF INF INF 16 22
group low region low
group high region high
#------------------------ settings ---------------------------------
dump intcfg all cfg 100 cfg/dump.*.cfg mass type xs ys zs
dump_modify intcfg element Si O
thermo_style custom step time temp press pe etotal vol density
thermo 2000 #----------------------------------minimization-------------------
min_style cg
minimize 1.0e-30 1.0e-30 10000 10000
但是跑了之后报错 "ERROR on proc 0: ffield.reax:77: Invalid force field file format (src/REAXFF/reaxff_ffield.cpp:584)"
这个看起来像是lammps的旧版与新版的问题，想请教一下各位大佬怎么解决呢？力场附件如下