Project ID: plumID:19.000
Source: sodium/plumed-ves.dat
Originally used with PLUMED version: 2.6-dev
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

# vim:ft=plumed
LOAD FILE=DebyeStructureFactor.cpp
UNITS LENGTH=A

ene: ENERGY
cv: DEBYE_STRUCTURE_FACTOR CUTOFF=10.5 ACTIVE_Q=2.070595

VES_DELTA_F ...
  LABEL=ves
  ARG=cv.*
  FILE_F0=fesA.data
  FILE_F1=fesB.data
  TEMP=350
  AV_STRIDE=500
  BIASFACTOR=20
  M_STEP=1
  PRINT_STRIDE=100
  ALPHA_FILE=Alpha.data
... VES_DELTA_F
PRINT FMT=%g STRIDE=500   FILE=Colvar.data ARG=cv.*,ene,ves.bias,ves.rct

ENDPLUMED
-- !!bash --
--- Active shells ---
awk -v n=1 -v trig=1 'BEGIN{printf "cv: DEBYE_STRUCTURE_FACTOR NOPBC ACTIVE_Q="}NR>10{der=$2-prev; if ($2>trig && der<0 && prev_der>0 && ++conta<=n) {printf val; if (conta<n) printf ","; else printf "\n"} prev=$2; prev_der=der; val=$1}' ../unb-bcc/DebyeSq.data