What is the parameter-style generated by write_lammpsdata method?
**I generated the LAMMPSDATA file by write_lammpsdata method, but there is a warning came up.**
Here is the WARNINGs.
`WARNING: Pair style in data file differs from currently defined pair style (src/read_data.cpp:610)`
`WARNING: Bond style in data file differs from currently defined bond style (src/read_data.cpp:630)`
`WARNING: Angle style in data file differs from currently defined angle style (src/read_data.cpp:641)`
`WARNING: Dihedral style in data file differs from currently defined dihedral style (src/read_data.cpp:652)`
**How to set the pair_style, bond_style, angle_style, dihedral_style in the input file of LAMMPS properly?**
Here is the script and xml file of generating data files.
[example_for_WARINING.ipynb](https://github.com/user-attachments/files/22037313/example_for_WARINING.ipynb)
[oplsaa1.0.1.xml](https://github.com/user-attachments/files/22036284/oplsaa1.0.1.xml)
关闭于 2025-08-29 1 条评论