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 |   58 ++++++++++++++++++++++++++++++++++++++++++++++++++--------
 1 files changed, 50 insertions(+), 8 deletions(-)

diff --git a/src/tape b/src/tape
index 2d9f978..206d649 100644
--- a/src/tape
+++ b/src/tape
@@ -3,25 +3,48 @@
 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)
+dmin_interspecies=1.2
 # bending rigidity of the membrane (in units kT)
-xk0=1.0
+xk0=10.0
 # max step size (in units l_min)
 stepsize=0.15
 
 # Pressure calculations
 # (pswitch=1: calc. p*dV energy contribution)
 pswitch = 0
-# pressure difference: p_inside - p_outside (in units l_min^3/kT):
-pressure=0.0
+# pressure difference: p_inside - p_outside (in units kT/l_min^3):
+pressure=-10.0
 
-####### Polymer definitions ###########
+#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
 k_spring=800
 
+####### Filament (inside the vesicle) definitions ###########
+# nfil is a number of filaments inside the vesicle
+nfil=2
+# nfono is a number of monomers in each filament
+nfono=300
+# Persistence lenght of the filaments (in units l_min)
+xi=100
+
+####### Nucleus (inside the vesicle) ###########
+# Radius of an impenetrable hard sphere inside the vesicle
+R_nucleus=0
+R_nucleusX=6.0
+R_nucleusY=12.0
+R_nucleusZ=6.0
 #######  Cell definitions ############
 nxmax=60
 nymax=60
@@ -30,15 +53,24 @@
 
 ####### Program Control ############
 #how many MC sweeps between subsequent records of states to disk
-mcsweeps=50
+#200000
+mcsweeps=200
 #how many initial mcsweeps*inititer MC sweeps before recording to disk?
-inititer=1
+#2
+inititer=0
 #how many records do you want on the disk iteration are there in a run?
-iterations=10
+#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.
@@ -50,3 +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