To install, do:
$ mkdir build
$ cd build
$ cmake -DCMAKE_BUILD_TYPE=Release ..
$ make
To test installation run unit tests, for example from build, do:
$ cd unit_tests/testSW
$ ./testSW
If you want to run all the unit tests, from the unit_tests directory, do:
$ ctest all
https://nikhil-admal.github.io/mdstresslab
For Cauchy stress calculations, MDStressLab writes the stress tensor to
<name>.stress and the associated continuum fields to <name>.momentum_density
and <name>.mass_density. The kinetic Cauchy stress uses atom velocities
relative to the local continuum velocity p/rho; Piola stress has no kinetic
contribution. Structured grids can also be written in LAMMPS dump-grid style
with Stress::write_voxel_grid(), producing voxel-grid stress and, for Cauchy
stress, voxel-grid momentum and mass density files for direct OVITO
visualization. The MDStressLab++_in script driver writes these voxel-grid
files for Cauchy sphere calculations in addition to the legacy text outputs.
Voxel dimensions are inferred from the active grid axes; for example, a
nx x ny x 1 grid is written as a two-dimensional voxel grid.
Periodic configurations may use non-orthogonal simulation boxes. MDStressLab creates periodic padding atoms as needed, but it does not fold the input atoms or grid points into the primary box.