From 5b9ee8bd462b8be998c011f2d0be594fc6f7bf06 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Fri, 13 Jun 2014 20:44:51 +0000 Subject: [PATCH] Cahnged capping on the end of the line --- src/tape | 11 ++++++----- 1 files changed, 6 insertions(+), 5 deletions(-) diff --git a/src/tape b/src/tape index 023bc27..734811b 100644 --- a/src/tape +++ b/src/tape @@ -12,9 +12,9 @@ # 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=0 @@ -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=10 +inititer=0 #how many records do you want on the disk iteration are there in a run? -iterations=50010 +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