WebThe reaxff style differs from the (obsolete) “pair_style reax” command in the implementation details. The reax style was a Fortran library, linked to LAMMPS. The reax style has been removed from LAMMPS after the 12 December 2024 version. LAMMPS provides several different versions of ffield.reax in its potentials dir, each called potentials ... WebOct 7, 2024 · I use the command: "fix spec all reax/c/species 1 1 1000 spec_test.out " it also can work, however, if I change Nrepeat to 1000 like "fix spec all reax/c/species 1 1000 …
[lammps-users] error in "fix reax/c/species" command: "Illegal fix …
WebThe “fix reaxff/species” requires that pair_style reaxff is used. This fix is part of the REAXFF package. It is only enabled if LAMMPS was built with that package. See the Build package page for more info. To write gzipped species files, you must compile LAMMPS with the … WebSep 27, 2024 · 统计产物的核心命令是fix reax/c/species fix 4 all reax/c/species 1 100 100 species.out element H C O cutoff 2 2 0.15 1 100 100 分别表示每隔1步采样一次键级,采 … danny and bonnie seafood gretna
rerun with fix reax/c/species command - LAMMPS Mailing List …
WebJun 11, 2024 · Remove the suffix .txt from all supplied files and run LAMMPS with in_distributions.pe as input file. The output from the reax/c/species command is written in species.out.gz The error appears in both the parallel and the serial versions Further Information, Files, and Links species.out.gz.txt in_distributions.pe.txt … WebNo parameter of this fix can be used with the start/stop keywords of the run command. This fix is not invoked during energy minimization. Restrictions: The fix species currently only … WebJun 11, 2024 · I am analyzing the trajectory from the deformation of 50 "infinite" PE chains in crystal phase. Each chain in the simulation box has 40 carbon atoms and 80 hydrogen … birthday glitter decor