From cc95bd1ca5e69ce13766ca0acea11560531ed620 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@fe.uni-lj.si> Date: Tue, 24 May 2016 08:01:55 +0000 Subject: [PATCH] From snapshots, raw tape configuration is extracted and written into tape file and not the rendered one --- src/tape | 32 ++++++++++++++++++++++++-------- 1 files changed, 24 insertions(+), 8 deletions(-) diff --git a/src/tape b/src/tape index dbaabdb..620a4a3 100644 --- a/src/tape +++ b/src/tape @@ -1,6 +1,6 @@ ####### Vesicle definitions ########### # nshell is a number of divisions of dipyramid -nshell=17 +nshell=10 # dmax is the max. bond length (in units l_min) dmax=1.7 # dmin_interspecies in the min. dist. between different vertex species (in units l_min) @@ -14,7 +14,14 @@ # (pswitch=1: calc. p*dV energy contribution) pswitch = 1 # pressure difference: p_inside - p_outside (in units kT/l_min^3): -pressure=-1.0 +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=2 ####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle @@ -26,16 +33,18 @@ ####### 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 # Persistence lenght of the filaments (in units l_min) -xi=5000 +xi=0 ####### Nucleus (inside the vesicle) ########### # Radius of an impenetrable hard sphere inside the vesicle -R_nucleus=5 - +R_nucleus=0 +R_nucleusX=2.0 +R_nucleusY=6.0 +R_nucleusZ=2.0 ####### Cell definitions ############ nxmax=60 nymax=60 @@ -44,13 +53,20 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=10 +#200000 +mcsweeps=2000 #how many initial mcsweeps*inititer MC sweeps before recording to disk? +#2 inititer=0 #how many records do you want on the disk iteration are there in a run? -iterations=20 +#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 -- Gitblit v1.9.3