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lammps/examples/USER/atc/molecule/polarize.screen
rjones 666de878ad ATC version 2.0, date: Aug7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10558 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-07 21:29:05 +00:00

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LAMMPS (14 Aug 2013)
Scanning data file ...
2 = max bonds/atom
1 = max angles/atom
Reading data file ...
orthogonal box = (-25 -25 -21.8959) to (25 25 21.8959)
2 by 2 by 1 MPI processor grid
9474 atoms
9474 velocities
6316 bonds
3158 angles
Finding 1-2 1-3 1-4 neighbors ...
2 = max # of 1-2 neighbors
1 = max # of 1-3 neighbors
1 = max # of 1-4 neighbors
2 = max # of special neighbors
Lattice spacing in x,y,z = 0.05 0.05 0.05
9474 atoms in group water
6316 atoms in group hyd
3158 atoms in group oxy
Finding 1-2 1-3 1-4 neighbors ...
2 = max # of 1-2 neighbors
1 = max # of 1-3 neighbors
1 = max # of 1-4 neighbors
2 = max # of special neighbors
ERROR: Invalid fix style (../modify.cpp:714)