Package Info:
Read atomic coordinates, assign charges and solve for electrostatic potentials
Solve discretized Poisson equation on a 3D cartesian grid using Conjugate Gradient Scheme
OpenMP support
See README.txt for more details
Package Info:
Read atomic coordinates, assign charges and solve for electrostatic potentials
Solve discretized Poisson equation on a 3D cartesian grid using Conjugate Gradient Scheme
OpenMP support
See README.txt for more details