From 28efdb702e43122822884d01a02a450885b7085e Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@fe.uni-lj.si> Date: Mon, 29 Feb 2016 08:47:16 +0000 Subject: [PATCH] Moving in right direction... still lots of errors --- src/tape | 16 +++++++++++----- 1 files changed, 11 insertions(+), 5 deletions(-) diff --git a/src/tape b/src/tape index 935bf18..4fd57e5 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) @@ -16,10 +16,12 @@ # 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 +#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 @@ -49,14 +51,18 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=250 +#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? +#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