Torque and atomic forces for Cartesian tensor atomic multipoles with an application to crystal unit cell optimization.New equations for torque and atomic force are derived for use in flexible molecule force fields with atomic multipoles. 
Torque and atomic forces
Torque and atomic forces for Cartesian tensor atomic multipoles with an application to crystal unit cell optimization.New equations for torque and atomic force are derived for use in flexible molecule force fields with atomic multipoles. 
Cartesian tensor atomic multipoles
Torque and atomic forces for Cartesian tensor atomic multipoles with an application to crystal unit cell optimization.New equations for torque and atomic force are derived for use in flexible molecule force fields with atomic multipoles. 
Crystal unit cell optimization