From ad4e7069f10b80446be8d13eba28a03c2c642a3b Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Fri, 13 Jun 2014 20:37:10 +0000 Subject: [PATCH] Now it works after remake! However, some crossection segments are in the list multiple times. --- src/tape | 13 +++++++------ 1 files changed, 7 insertions(+), 6 deletions(-) diff --git a/src/tape b/src/tape index 372458d..734811b 100644 --- a/src/tape +++ b/src/tape @@ -12,13 +12,13 @@ # Pressure calculations # (pswitch=1: calc. p*dV energy contribution) -pswitch = 0 +pswitch = 1 # pressure difference: p_inside - p_outside (in units kT/l_min^3): -pressure=0.0 +pressure=1.0 #Constant volume constraint (0 disable constant volume, 1 enable) -constvolswitch=1 -constvolprecision=1e-3 +constvolswitch=0 +constvolprecision=1e-14 ####### Polymer (brush) definitions ########### @@ -49,14 +49,15 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=2500 +mcsweeps=2000 #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=15000 +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