From fda1ab6babed79842534b3a21a6ee96bc26f9d93 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@fe.uni-lj.si> Date: Tue, 16 Dec 2014 14:47:56 +0000 Subject: [PATCH] Real spherical harmonics are programmed. Inefficiently, but for testing purposes they works. --- src/tape | 26 +++++++++++++++++++------- 1 files changed, 19 insertions(+), 7 deletions(-) diff --git a/src/tape b/src/tape index 751b9e6..22eace5 100644 --- a/src/tape +++ b/src/tape @@ -3,8 +3,10 @@ nshell=17 # 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) +dmin_interspecies=1.2 # bending rigidity of the membrane (in units kT) -xk0=10.0 +xk0=20.0 # max step size (in units l_min) stepsize=0.15 @@ -13,6 +15,12 @@ pswitch = 0 # pressure difference: p_inside - p_outside (in units kT/l_min^3): pressure=0.0 + +#Constant volume constraint (0 disable constant volume, 1 enable) +constvolswitch=0 +constvolprecision=1e-14 + +constareaswitch=0 ####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle @@ -24,15 +32,15 @@ ####### Filament (inside the vesicle) definitions ########### # nfil is a number of filaments inside the vesicle -nfil=1 +nfil=0 # nfono is a number of monomers in each filament nfono=300 # Persistence lenght of the filaments (in units l_min) -xi=10 +xi=0 ####### Nucleus (inside the vesicle) ########### # Radius of an impenetrable hard sphere inside the vesicle -R_nucleus=5 +R_nucleus=0 ####### Cell definitions ############ nxmax=60 @@ -42,13 +50,17 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=300 +mcsweeps=200000 #how many initial mcsweeps*inititer MC sweeps before recording to disk? -inititer=0 +inititer=2 #how many records do you want on the disk iteration are there in a run? -iterations=300 +iterations=1000 +###### 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