A series of vtk files created on-the-fly
The main output of a CAC simulation are
cac_atom_#.vtk files that contain elemental/nodal information and atomic information in the coarse-grained and the atomistic domains, respectively, where
#, a non-negative integer, is the simulation step at which the file is created. These files, created by
vtk_legacy.f90 with a frequency of
output_freq, can be read by ParaView. Note that besides the nodal/atomic positions, the energy scalar, the force vector, and the stress tensor of each node/atom are also recorded in these vtk files.
One-time vtk and dump files
Besides the files that are created on-the-fly, in the beginning of a simulation, a
model_atom.vtk file containing atomic positions in the atomistic domain, a
model_cg.vtk file containing nodal positions in the coarse-grained domain, and a
model_intpo.vtk file containing integration point positions and weights in the coarse-grained domain are also created, by
vtk_legacy_model.f90. A standard LAMMPS dump file
dump.lammps which, in addition to the positions of the real/interpolated atoms, also contain the velocities of the real/interpolated atoms if
simulation_style = dynamics or hybrid, is created by
atomp_plot_lammps.f90. When the total number of groups > 0, multiple
group_atom_*.vtk files, where
*, a positive integer, is the group id, are created by
vtk_legacy_group.f90 for the coarse-grained and the atomistic domains, respectively. These files are used to show whether the initial simulation cell and group settings are correct. Different from the
cac_atom_#.vtk files, the one-time vtk files here do not contain the energy/force/stress information, but only the nodal/atomic positions.
All vtk and dump files are then post-processed for visualization purposes.
cac.log is the log file of a CAC simulation, containing information mostly written by
A series of
cac_out_#.restart files, where
# is a positive integer, are created with a frequency of
restart_freq. One of these files can then be renamed to
cac_in.restart to restart a prior simulation when boolean_restart = t.
boolean_debug = t, a writable
debug file is created by
debug_init.f90. The user can then write to it whatever he/she wants using unit number 13, i.e.,
write(13, format) output
When the total number of groups > 0, a series of
group_out_*_#.id files are created, where
* is the group id starting from 1 and
# is the simulation step at which the file is created. These files can then be renamed to
group_in_*.id for restart group and refinement purposes.