POISSON_SOLVER | |
POISSON_SOLVER char | |
Specify which kind of solver to use to solve the Poisson equation. | |
This optional keyword expects a keyword. Default value: PERIODIC | |
valid keywords: PERIODIC, ANALYTIC, MT, MULTIPOLE, WAVELET | |
variants: POISSON, PSOLVER This keyword cites following references: [BLOCHL1995] [Martyna1999] [Genovese2006] [Genovese2007] | |
PERIODIC | |
PERIODIC (x|y|z|xy|xz|yz|xyz|none) | |
Specify the directions on wich apply PBC. Important notice, this only applies to the electrostatics. See the CELL section to specify the periodicity used for e.g. the pair lists. Typically the settings should be the same. | |
This optional keyword expects a keyword. Default value: XYZ | |
valid keywords: X, Y, Z, XY, XZ, YZ, XYZ, NONE |