Literature Methods

Literature Methods

The following table lists common literature methods implemented in Aten, noting any implementation differences etc.

Table 9.1. Literature Methods

NameDescription / Notes
Ewald SumElectrostatic energy and forces for periodic systems. Implemented as described in: XXX
Conjugate Gradient 
Marching CubesIsosurface generation from regular gridded data. No pathological cases are accounted for. See implementation details in: XXX
Steepest Descent