From def8b5262e183297ccee42ebbf9ebdb89c10f44c Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Sun, 03 Jul 2016 18:21:13 +0000 Subject: [PATCH] restoring vertices with spontaneous curvatures seems to work, however, the dumped energy differs on last few decimal places --- src/tape | 32 ++++++++++++++++++++++++-------- 1 files changed, 24 insertions(+), 8 deletions(-) diff --git a/src/tape b/src/tape index 034c8a4..fe611f8 100644 --- a/src/tape +++ b/src/tape @@ -14,18 +14,20 @@ # (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) -constvolswitch=1 +#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 # nmono is a number of monomers in each polymer -nmono=10 +nmono=2 # Spring constant between monomers of the polymer k_spring=800 @@ -33,14 +35,16 @@ # 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 @@ -50,7 +54,7 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk #200000 -mcsweeps=20 +mcsweeps=2000 #how many initial mcsweeps*inititer MC sweeps before recording to disk? #2 inititer=0 @@ -65,6 +69,8 @@ #shut up if we are using cluster!!! quiet=false + + #what type of multiprocessing? (*none, smp, cluster, distributed, cuda, auto) #currently only none makes sense. @@ -76,3 +82,13 @@ #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=300 +#spontaneous curvature (float) +c0=0.5 +#energy of attraction of vertices with spontaneous curvature (float, positive value for attraction) +w=10.0 + -- Gitblit v1.9.3