WebID, group-ID are documented in fix command. wall/srd = style name of this fix command. one or more face/arg pairs may be appended. face = xlo or xhi or ylo or yhi or zlo or zhi xlo,ylo,zlo arg = EDGE or constant or variable EDGE = current lo edge of simulation box constant = number like 0.0 or -30.0 (distance units) variable = equal-style variable like … WebOct 2, 2024 · Yes I am using kspace, so I need to use “boundary p p p” I think of some possibilities and questions: I can try “fix wall” but with periodic boundary, so ions cannot across the boundary and I can still use kspace. I can try “fix oneway” can I use “region” command, and “create_atom” in the defined region so that it works as a slab to prevent …
fix wall/region command — LAMMPS documentation
Webwall/region = style name of this fix command; region-ID = region whose boundary will act as wall; style = lj93 or lj126 or colloid or harmonic; epsilon = strength factor for wall … WebThere are several types of walls (see documentation of the fix wall commands). For the lower wall, I would use for example: fix wall_lo all wall/lj126 zlo EDGE 1.0 1.0 1.22462 units box portland maine shops
Using fix wall/region - LAMMPS Mailing List Mirror - Materials …
WebThe fix wall/region command offers the most generality, since the region surface is treated as a wall, and the geometry of the region can be a simple primitive volume (e.g. … WebSyntax. fix ID group-ID heat N eflux. ID, group-ID are documented in fix command. heat = style name of this fix command. N = add/subtract heat every this many timesteps. eflux = rate of heat addition or subtraction (energy/time units) eflux can be a variable (see below) zero or more keyword/value pairs may be appended to args. keyword = region. WebMar 25, 2024 · You have a confinement potential using a spherical region centered on 0.0 0.0 0.0 with a radius of 9 sigma, but you also have a box with fixed boundaries that is … portland maine short term furnished rentals