From 7d62fc765adc11bbcb7db0716ac5dc19145dca80 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Sun, 15 Jun 2014 10:58:40 +0000 Subject: [PATCH] To be sure a fix in comparing the floating point numbers --- src/tape | 7 ++++--- 1 files changed, 4 insertions(+), 3 deletions(-) diff --git a/src/tape b/src/tape index 4ab84f8..7eae2ba 100644 --- a/src/tape +++ b/src/tape @@ -17,7 +17,7 @@ pressure=0.0 #Constant volume constraint (0 disable constant volume, 1 enable) -constvolswitch=1 +constvolswitch=0 constvolprecision=1e-14 @@ -49,14 +49,15 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk -mcsweeps=800 +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=1000 +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