WebA tag already exists with the provided branch name. Many Git commands accept both tag and branch names, so creating this branch may cause unexpected behavior. Web求助,fix reax/c/bonds/species怎么统计bond和mol - keinsci
rerun with fix reax/c/species command - LAMMPS Mailing List …
WebAug 1, 2024 · Extension: .bz2 Command: bzip2 Extension: .zst Command: zstd Extension: .xz Command: xz Extension: .lzma Command: xz Extension: .lz4 Command: lz4. Installed packages: ASPHERE BODY CLASS2 COLLOID COLVARS CORESHELL DIPOLE EXTRA-COMPUTE EXTRA-DUMP EXTRA-FIX EXTRA-MOLECULE EXTRA-PAIR FEP … WebApr 14, 2024 · I also dumped the fix reax/c/species per-atom information which represents the molecule ID for each atom into the dump file. Then I visualize it using Ovito software. However, I found this command identify two atoms in a same molecule even the atoms are far away from each other. Is this normal in the lammps simulation? shy 意味は
Neighbor settings for fix/reax/c/species - LAMMPS Mailing List …
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 … WebLAMMPS-CGeM/fix_reaxc_species.cpp Go to file Go to fileT Go to lineL Copy path Copy permalink This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository. Cannot retrieve contributors at this time 987 lines (808 sloc) 25.7 KB Raw Blame Weberror->all(FLERR,"Illegal fix reax/c/species command"); // Neighbor lists must stay unchanged during averaging of bonds, // but may be updated when no averaging is performed. shy zodiac signs ranked