From 759169c7cead24a05533f78058c5a7ebdda319c5 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Sun, 03 Jul 2016 22:17:37 +0000 Subject: [PATCH] Tried to made all functionality for clustering. Not debugged and will probably fail miserably --- src/tape | 24 ++++++++++++++++-------- 1 files changed, 16 insertions(+), 8 deletions(-) diff --git a/src/tape b/src/tape index 3c6bcb7..59cc09c 100644 --- a/src/tape +++ b/src/tape @@ -14,16 +14,18 @@ # (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 -constvolprecision=1e-16 +#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=2 ####### 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 @@ -31,7 +33,7 @@ ####### Filament (inside the vesicle) definitions ########### # nfil is a number of filaments inside the vesicle -nfil=0 +nfil=2 # nfono is a number of monomers in each filament nfono=300 # Persistence lenght of the filaments (in units l_min) @@ -40,7 +42,9 @@ ####### 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 @@ -49,14 +53,18 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=250 +#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? +#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!!! -- Gitblit v1.9.3