From d5d78a49c6b51fb1f6f0661d063034eaf65e02f7 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Wed, 25 Sep 2019 09:20:36 +0000 Subject: [PATCH] Constant volume and constant area fix. Removed spherical harmonics calculations in simulations. No ulm2.cvs and state.dat files are produced anymore --- src/tape | 42 ++++++++++++++++++++++++++++++++++-------- 1 files changed, 34 insertions(+), 8 deletions(-) diff --git a/src/tape b/src/tape index 69fd056..bdce9e7 100644 --- a/src/tape +++ b/src/tape @@ -23,15 +23,20 @@ #Constant area constraint (0 disable constant area, 2 enable constant area with epsarea) constareaswitch=0 + +#Stretching +stretchswitch=1 +xkA0=1.0 + ####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle -npoly=800 +npoly=10 # nmono is a number of monomers in each polymer -nmono=6 +nmono=20 # 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 +internal_poly=0 ####### Filament (inside the vesicle) definitions ########### # nfil is a number of filaments inside the vesicle @@ -39,7 +44,7 @@ # 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 @@ -48,9 +53,9 @@ R_nucleusY=0 R_nucleusZ=0 ####### Cell definitions ############ -nxmax=60 -nymax=60 -nzmax=60 +nxmax=100 +nymax=100 +nzmax=100 ####### Program Control ############ @@ -59,7 +64,7 @@ mcsweeps=200 #how many initial mcsweeps*inititer MC sweeps before recording to disk? #2 -inititer=10 +inititer=0 #how many records do you want on the disk iteration are there in a run? #10000 iterations=100 @@ -71,6 +76,8 @@ #shut up if we are using cluster!!! quiet=false + + #what type of multiprocessing? (*none, smp, cluster, distributed, cuda, auto) #currently only none makes sense. @@ -82,3 +89,22 @@ #max number of processes in distributed (voluntary) environment distributed_processes=50 #cuda options??? + + +#number of vertices with spontaneous curvature (integer) +number_of_vertices_with_c0=100 +#c0/2 is spontaneous curvature. c0 is used as (c1+c1-c0)^2 in energy term (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 + + + +#plane confinement +plane_confinement_switch=1 +#final plane distance (float in lmin) +plane_d=10 +#plane to vesicle repulsion force while closing +plane_F=10 -- Gitblit v1.9.3