From fc6f3ef0a9822f3d5f06d38e556dbb5f2e985f4a Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Wed, 13 Jul 2016 17:33:28 +0000 Subject: [PATCH] First attempt in solving an issue of dense packed internal pegs. They are recreated as many times as needed. --- src/tape | 36 ++++++++++++++++++++++++++++-------- 1 files changed, 28 insertions(+), 8 deletions(-) diff --git a/src/tape b/src/tape index e7e42e7..93e42d7 100644 --- a/src/tape +++ b/src/tape @@ -14,28 +14,39 @@ # (pswitch=1: calc. p*dV energy contribution) pswitch = 0 # pressure difference: p_inside - p_outside (in units kT/l_min^3): -pressure=-2.0 +pressure=10.0 + +#Constant volume constraint (0 disable constant volume, 1 enable wiht additional vertex move, 2 enable with epsvol) +constvolswitch=0 +constvolprecision=1e-14 + +#Constant area constraint (0 disable constant area, 2 enable constant area with epsarea) +constareaswitch=0 ####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle -npoly=0 +npoly=400 # nmono is a number of monomers in each polymer nmono=10 # Spring constant between monomers of the polymer k_spring=800 +#set to 1 if half of the polymeres are inside the vesicle +internal_poly=1 ####### Filament (inside the vesicle) definitions ########### # nfil is a number of filaments inside the vesicle -nfil=2 +nfil=0 # nfono is a number of monomers in each filament -nfono=300 +nfono=3 # Persistence lenght of the filaments (in units l_min) xi=100 ####### Nucleus (inside the vesicle) ########### # Radius of an impenetrable hard sphere inside the vesicle -R_nucleus=5 - +R_nucleus=0 +R_nucleusX=0 +R_nucleusY=0 +R_nucleusZ=0 ####### Cell definitions ############ nxmax=60 nymax=60 @@ -44,15 +55,24 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=1000 +#200000 +mcsweeps=200 #how many initial mcsweeps*inititer MC sweeps before recording to disk? -inititer=0 +#2 +inititer=1 #how many records do you want on the disk iteration are there in a run? +#10000 iterations=100 +###### Spherical harmonics ########### +# If 0 then spherical harmonics are not calculated at all. +spherical_harmonics_coefficients=21 + #shut up if we are using cluster!!! quiet=false + + #what type of multiprocessing? (*none, smp, cluster, distributed, cuda, auto) #currently only none makes sense. -- Gitblit v1.9.3