cmf_fval_grid: Computes field values for grid

In conmolfields: Continuous molecular fields

Description

Computes field values for grid

Usage

cmf_fval_grid(ft, mol, alpha, grid, verbose=1)

Arguments

ft
mol
alpha
grid
verbose	1
x
x

Examples

##---- Should be DIRECTLY executable !! ----
##-- ==>  Define data, use random,
##--	or do  help(data=index)  for the standard data sets.

## The function is currently defined as
cmf_fval_grid <- function(ft, mol, alpha, grid, verbose=1) {
  for (igridx in 1:grid$ngridx) {
    if (verbose) {cat("."); flush.console()}
    x <- grid$gridx[igridx]
    for (igridy in 1:grid$ngridy) {
      y <- grid$gridy[igridy]
      for (igridz in 1:grid$ngridz) {
        z <- grid$gridz[igridz]
        grid$val[igridx,igridy,igridz] <- cmf_fval_xyz(ft, mol,alpha,x,y,z)
      }
    }
  }
  if (verbose) {cat("\n"); flush.console()}
  grid
}
  
  

conmolfields documentation built on May 2, 2019, 4:18 p.m.