From 61ad95ca712a374f6e58127fda738b67c57d743d Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Wed, 04 Jan 2017 21:19:52 +0000 Subject: [PATCH] Added many changes to trisurf.py. Mostly readability. Great fix in class Runner by introducing @property tag --- src/tape | 39 +++++++++++++++++++++++++++++++-------- 1 files changed, 31 insertions(+), 8 deletions(-) diff --git a/src/tape b/src/tape index ba80a8d..f2edf02 100644 --- a/src/tape +++ b/src/tape @@ -14,33 +14,39 @@ # (pswitch=1: calc. p*dV energy contribution) pswitch = 0 # pressure difference: p_inside - p_outside (in units kT/l_min^3): -pressure=0.0 +pressure=10.0 -#Constant volume constraint (0 disable constant volume, 1 enable) +#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=0 # nfono is a number of monomers in each filament -nfono=300 +nfono=3 # Persistence lenght of the filaments (in units l_min) -xi=0 +xi=100 ####### Nucleus (inside the vesicle) ########### # Radius of an impenetrable hard sphere inside the vesicle R_nucleus=0 - +R_nucleusX=0 +R_nucleusY=0 +R_nucleusZ=0 ####### Cell definitions ############ nxmax=60 nymax=60 @@ -49,18 +55,24 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=250 +#200000 +mcsweeps=2000 #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. @@ -72,3 +84,14 @@ #max number of processes in distributed (voluntary) environment distributed_processes=50 #cuda options??? + + +#NirGov branch only! +#number of vertices with spontaneous curvature (integer) +number_of_vertices_with_c0=100 +#spontaneous curvature (float) +c0=0.5 +#energy of attraction of vertices with spontaneous curvature (float, positive value for attraction) +w=10.0 +#direct force on vesicles with spontaneous curvature (float) +F=2.0 -- Gitblit v1.9.3