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 | 29 ++++++++++++++++++++++------- 1 files changed, 22 insertions(+), 7 deletions(-) diff --git a/src/tape b/src/tape index 50b4272..f2edf02 100644 --- a/src/tape +++ b/src/tape @@ -1,6 +1,6 @@ ####### Vesicle definitions ########### # nshell is a number of divisions of dipyramid -nshell=5 +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) @@ -14,7 +14,7 @@ # (pswitch=1: calc. p*dV energy contribution) pswitch = 0 # pressure difference: p_inside - p_outside (in units kT/l_min^3): -pressure=-10.0 +pressure=10.0 #Constant volume constraint (0 disable constant volume, 1 enable wiht additional vertex move, 2 enable with epsvol) constvolswitch=0 @@ -25,11 +25,13 @@ ####### 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=2 +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 @@ -37,7 +39,7 @@ # nfono is a number of monomers in each filament 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 @@ -54,10 +56,10 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk #200000 -mcsweeps=200 +mcsweeps=2000 #how many initial mcsweeps*inititer MC sweeps before recording to disk? #2 -inititer=10 +inititer=1 #how many records do you want on the disk iteration are there in a run? #10000 iterations=100 @@ -69,6 +71,8 @@ #shut up if we are using cluster!!! quiet=false + + #what type of multiprocessing? (*none, smp, cluster, distributed, cuda, auto) #currently only none makes sense. @@ -80,3 +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