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: -xc 10.0,0,0,0.0,10.0,0.0,0.0,0.0,20.0

-e

Add the charge to the output file