From 8a72f3f1dbe2bb440de3d788f33ecfb46f1f604c Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Fri, 13 Jun 2014 20:39:35 +0000 Subject: [PATCH] Fix: the 2d contour of cross-section is calculated only if shperical harmonics are calculated --- src/tape | 8 ++++---- 1 files changed, 4 insertions(+), 4 deletions(-) diff --git a/src/tape b/src/tape index 0f2246d..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 @@ -49,7 +49,7 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=20 +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? @@ -58,7 +58,7 @@ ###### Spherical harmonics ########### # If 0 then spherical harmonics are not calculated at all. -spherical_harmonics_coefficients=10 +spherical_harmonics_coefficients=21 #shut up if we are using cluster!!! quiet=false -- Gitblit v1.9.3