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 |