### Precise Calculation of the Local Pressure Tensor in Cartesian and Spherical
Coordinates in LAMMPS

Takenobu Nakamura, Shuhei Kawamoto, __Wataru Shinoda__

Comput. Phys. Comm. **190**, 120-128 (2015).

An accurate and efficient algorithm for calculating the 3D pressure field
has been developed and implemented in the open-source molecular dynamics
package, LAMMPS. Additionally, an algorithm to compute the pressure profile
along the radial direction in spherical coordinates has also been implemented.
The latter is particularly useful for systems showing a spherical symmetry
such as micelles and vesicles. These methods yield precise pressure fields
based on the Irving-Kirkwood contour integration and are particularly useful
for biomolecular force fields. The present methods are applied to several
systems including a buckled membrane and a vesicle.