Each ELEC statement must start with the type of calculation to be performed. The type is specified with the following syntax
where
and Each of these types of calculations, and their accompanying keywords, is described in more detail below.
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Types of ELEC calculations
Subpages (5):
fe-manual: manually-configured adaptive finite element Poisson-Boltzmann calculations
mg-auto: automatically-configured sequential focusing multigrid Poisson-Boltzmann calculations
mg-dummy: calculations of surface and charge distribution properties which do not require solution of the PBE
mg-manual: manually-configured multigrid Poisson-Boltzmann calculations
mg-para: automatically-configured parallel focusing multigrid Poisson-Boltzmann calculations
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