LPMD format (lpmd)¶
Read and write LPMD’s atomic configuration file
Read Options¶
| -s | Output single bonds only |
| -b | Disable bonding entirely |
Write Options¶
| -f <num> | Indicate the level of the output file: 0 (default), 1 or 2. |
| -m <num> | Indicate the mode for level 2 output files 0 (default) is for accelerations and 1 for forces |
| -c <vectorcells> | |
Set the cell vectors if not present Example: | |
| -e | Add the charge to the output file |