Dear All!
I am struggling a bit with reading data from an existing (clear text) dump file (ITEM: ATOMS id type x y z vx vy vz c_ke c_pe fx fy fz q) into a simulation. After reading the data (read_dump data.old 1000 x y z vx vy vz box yes replace yes) LAMMPS tells me it has read X atoms, but when I run the simulation the run contains 0 atoms again. The initially created box is replaced by the correct box from the data.old file)
So in short, the dump file contains all atoms and the box size, they are apparently read correctly, but then during the simulation no atoms are present, and I do not see where I ¡°lost¡± them.
Data.old:
ITEM: TIMESTEP
1000000
ITEM: NUMBER OF ATOMS
181760
ITEM: BOX BOUNDS pp pp ff
0 252.28
0 252.28
0 60
ITEM: ATOMS id type x y z vx vy vz c_ke c_pe fx fy fz q
1 2 0 0 0.973 0 0 0 0 -2.786 0 0 0 0.0364858
2 2 3.60399 0 0.973 0 0 0 0 -2.76864 0 0 0 0.0371448
3 2 7.20798 0 0.973 0 0 0 0 -2.78273 0 0 0 0.0370445
[¡¦]
read_dump data.old 1000000 id type x y z vx vy vz box yes replace yes
and the log says:
read_dump data.old 1000000 x y z vx vy vz box yes replace yes
orthogonal box = (0 0 0) to (252.28 252.28 60)
0 atoms before read
181760 atoms in snapshot
[¡¦]
Every hint is very welcome!
Yours,
Chris