From 364c3073f652fbc02a9ddf051a381b3fd5ea48e4 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Tue, 08 Jul 2014 16:54:41 +0000 Subject: [PATCH] Fixed max occupancy error --- src/tape | 8 ++++++-- 1 files changed, 6 insertions(+), 2 deletions(-) diff --git a/src/tape b/src/tape index ba80a8d..034c8a4 100644 --- a/src/tape +++ b/src/tape @@ -17,7 +17,7 @@ pressure=0.0 #Constant volume constraint (0 disable constant volume, 1 enable) -constvolswitch=0 +constvolswitch=1 constvolprecision=1e-14 @@ -49,14 +49,18 @@ ####### 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