Dear all.
I cannot obtain the kinetic energy that I expected.
To check how to print the energy, I made simple program.
The program describes the uniform motion for 1 particle.
Then, the trajectory of position become parabola,
and the velocity uniformly increases.
For this case, I expect that the kinetic energy
also increases because the velocity increases.
However, the result is not so.
The kinetic energy obtained by "thermo_style custom ke"
keep 0 even when the velocity is not zero.
Why?
The input script I used is given below:
echo log
units lj
atom_style charge
pair_style none
#read_data input.lammps
lattice sc 1
region box block 0 1 0 1 0 1
create_box 1 box
create_atoms 1 single 0.0 0.0 0.0
mass 1 1.0
velocity all zero linear
timestep 0.01
fix 2 all nve
group molset type 1
set group molset charge 1
#fix 5 molset efield 0.1 0.0 0.0
fix 5 molset addforce 0.1 0.0 0.0
# output thermodynamic data
thermo_style custom step etotal pe ke press
thermo_modify norm no
thermo 10
dump dump3 molset custom 1 config.dat x vx
run 1000