From e5858ff1dcf5cecfcfe81602f52d255de9d508f4 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@fe.uni-lj.si> Date: Tue, 21 Jun 2016 10:49:57 +0000 Subject: [PATCH] Change in location of setting spontaneous curvature. Now it is done in initial_distribution.c, in function set_vesicle_values_from_tape. Also, energy assigning function is done and sweeping of the whole vesicle aswell. --- src/tape | 44 ++++++++++++++++++++++++++++++++++++-------- 1 files changed, 36 insertions(+), 8 deletions(-) diff --git a/src/tape b/src/tape index 713e2b7..206d649 100644 --- a/src/tape +++ b/src/tape @@ -12,13 +12,20 @@ # Pressure calculations # (pswitch=1: calc. p*dV energy contribution) -pswitch = 1 +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 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=3 # nmono is a number of monomers in each polymer nmono=10 # Spring constant between monomers of the polymer @@ -30,12 +37,14 @@ # nfono is a number of monomers in each filament nfono=300 # 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=5 - +R_nucleus=0 +R_nucleusX=6.0 +R_nucleusY=12.0 +R_nucleusZ=6.0 ####### Cell definitions ############ nxmax=60 nymax=60 @@ -44,15 +53,24 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=100 +#200000 +mcsweeps=200 #how many initial mcsweeps*inititer MC sweeps before recording to disk? +#2 inititer=0 #how many records do you want on the disk iteration are there in a run? -iterations=500 +#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. @@ -64,3 +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=200 +#spontaneous curvature (float) +c0=2.0 +#energy of attraction of vertices with spontaneous curvature +w=1.0 + -- Gitblit v1.9.3