96
6 Ratchet Dimer Brownian Motor with Hydrodynamic Interactions
c ***************************************************************
101 format(8(a8,1x))
102 format(10x,i10)
103 format(10x,e10.6)
c ***************************************************************
open(unit=5,file=’motor.in’,form=’formatted’)
open(unit=4,file=’motor.out’,form=’formatted’)
open(unit=9,file= ’energy.dat’,status=’unknown’)
open(unit=10,file= ’mvcx.dat’,status=’unknown’)
c ** read input data **
read(5,101)fn
read(5,102)nstep
read(5,102)isave
read(5,102)iprint
read(5,102)itape
read(5,103)dt c write(4,’(” **** program motor **** ”)’)
write(4,’(” brownian dynamics simulation ”)’)
write(4,’(” with hydrodynamic interactions ”)’)
write(4,’(” harmonic dimer ”)’)
c ** write input data **
c write(4,’( //1x ,a )’) title
write(4,’(” number of atoms ”,i10 )’) n
write(4,’(” number of steps ”,i10 )’) nstep
write(4,’(” save frequency ”,i10 )’) isave
write(4,’(” output frequency ”,i10 )’) iprint
c write(4,’(” configuration file name ”,a )’) cnfile
write(4,’(” timestep ”,f10.4 )’) dt
c ** read in initial configuration **
if (itape.eq.1) then
call setup (fn(1), 1)
else
call readcn (fn(10),10)
end if
c ====================================
radius = 0.25
consii =1.
c ====================================
c with Hydrodynamic Interactions, consij:
consij = 0.75*radius*consii
c ====================================
c without Hydrodynamic Interactions, consij:
c consij = 0.
c ====================================
c ** zero accumulators **
acv = 0.0