fr: fr

In conmolfields: Continuous molecular fields

Description

fr

Usage

fr(par_list)

Arguments

par_list

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
fr <- function(par_list) {
	xyz_a <- apply_par_list(xyz_m, par_list)
    af <- calc_af(xyz_a, xyz_t, wij)
    if (verbose) cat(sprintf("af=%g q1=%g q2=%g q3=%g q4=%g t1=%g t2=%g t3=%g\n", 
      af, par_list[1], par_list[2], par_list[3], par_list[4], par_list[5], par_list[6], 
	  par_list[7])); flush.console()
    af
  }

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