From 08d2f85fef9e58d9f4fd3e787e7a950f9007fdb4 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Sun, 15 May 2016 11:12:45 +0000 Subject: [PATCH] in README.md changed some instructions what to install for python wrapper --- src/tape | 28 +++++++++++++++++++++------- 1 files changed, 21 insertions(+), 7 deletions(-) diff --git a/src/tape b/src/tape index 713e2b7..baaac60 100644 --- a/src/tape +++ b/src/tape @@ -1,6 +1,6 @@ ####### Vesicle definitions ########### # nshell is a number of divisions of dipyramid -nshell=17 +nshell=5 # 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) @@ -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 +#Constant volume constraint (0 disable constant volume, 1 enable wiht additional vertex move, 2 enable with epsvol) +constvolswitch=2 +constvolprecision=1e-14 + +#Constant area constraint (0 disable constant area, 2 enable constant area with epsarea) +constareaswitch=2 + ####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle -npoly=0 +npoly=2 # nmono is a number of monomers in each polymer nmono=10 # Spring constant between monomers of the polymer @@ -26,7 +33,7 @@ ####### Filament (inside the vesicle) definitions ########### # nfil is a number of filaments inside the vesicle -nfil=2 +nfil=0 # nfono is a number of monomers in each filament nfono=300 # Persistence lenght of the filaments (in units l_min) @@ -34,7 +41,7 @@ ####### Nucleus (inside the vesicle) ########### # Radius of an impenetrable hard sphere inside the vesicle -R_nucleus=5 +R_nucleus=0 ####### Cell definitions ############ nxmax=60 @@ -44,13 +51,20 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=100 +#200000 +mcsweeps=20 #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 -- Gitblit v1.9.3