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 |   48 ++++++++++++++++++++++++++++++++++++++----------
 1 files changed, 38 insertions(+), 10 deletions(-)

diff --git a/src/tape b/src/tape
index 8d589d0..fe611f8 100644
--- a/src/tape
+++ b/src/tape
@@ -4,7 +4,7 @@
 # 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
+dmin_interspecies=1.2
 # bending rigidity of the membrane (in units kT)
 xk0=10.0
 # max step size (in units l_min)
@@ -12,30 +12,39 @@
 
 # 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=-2.0
+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
 # nmono is a number of monomers in each polymer
-nmono=10
+nmono=2
 # 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=1
+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=100
 
 ####### Nucleus (inside the vesicle) ###########
 # Radius of an impenetrable hard sphere inside the vesicle
-R_nucleus=5
-
+R_nucleus=0
+R_nucleusX=0
+R_nucleusY=0
+R_nucleusZ=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=2000
 #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=20
+#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=300
+#spontaneous curvature (float)
+c0=0.5
+#energy of attraction of vertices with spontaneous curvature (float, positive value for attraction)
+w=10.0
+

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