add amml cp2k tool
The first version is ready. One can try it here.
It accepts mof.inp and mof.xyz and produces position and force files.
I shared a history with input data and results. One can take import it and start from there.
Note that 20000 time steps in the original input file would take forever to compute. So, I have a modified file with 20 timesteps - then it takes about an hour to complete on an 8CPUs VM
Closes #36 (closed)