From fbcbdf4093644e43688d9a44d6553d7153d8a2eb Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@fe.uni-lj.si> Date: Tue, 29 Apr 2014 11:06:35 +0000 Subject: [PATCH] Constant volume in bondflip need lots of debugging --- src/tape | 18 +++++++++++++----- 1 files changed, 13 insertions(+), 5 deletions(-) diff --git a/src/tape b/src/tape index 713e2b7..935bf18 100644 --- a/src/tape +++ b/src/tape @@ -12,9 +12,14 @@ # 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) +constvolswitch=1 +constvolprecision=1e-3 + ####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle @@ -26,7 +31,7 @@ ####### 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 +39,7 @@ ####### 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 +49,16 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=100 +mcsweeps=250 #how many initial mcsweeps*inititer MC sweeps before recording to disk? inititer=0 #how many records do you want on the disk iteration are there in a run? -iterations=500 +iterations=100 +###### Spherical harmonics ########### +spherical_harmonics_coefficients=21 + #shut up if we are using cluster!!! quiet=false -- Gitblit v1.9.3