From a5e543120d541f47fe0a2e9841d02151dd3e693a Mon Sep 17 00:00:00 2001 From: mihaf <miha.fosnaric@gmail.com> Date: Tue, 08 Jul 2014 12:27:15 +0000 Subject: [PATCH] Fix: the number of cell total must be updated from new tape aswell. --- src/io.c | 1 + src/tape | 7 +++++-- 2 files changed, 6 insertions(+), 2 deletions(-) diff --git a/src/io.c b/src/io.c index ead2a7e..898b47b 100644 --- a/src/io.c +++ b/src/io.c @@ -426,6 +426,7 @@ vesicle->clist->ncmax[0]=vesicle->tape->ncxmax; vesicle->clist->ncmax[1]=vesicle->tape->ncymax; vesicle->clist->ncmax[2]=vesicle->tape->nczmax; + vesicle->clist->cellno=vesicle->clist->ncmax[0]*vesicle->clist->ncmax[1]*vesicle->clist->ncmax[2]; vesicle->clist->cell=(ts_cell **)malloc(sizeof(ts_cell *)*vesicle->clist->ncmax[0]*vesicle->clist->ncmax[1]*vesicle->clist->ncmax[2]); for(i=0;i<vesicle->clist->ncmax[0]*vesicle->clist->ncmax[1]*vesicle->clist->ncmax[2];i++){ vesicle->clist->cell[i]=(ts_cell *)calloc(1,sizeof(ts_cell)); diff --git a/src/tape b/src/tape index cedfc46..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 @@ -49,11 +49,14 @@ ####### Program Control ############ #how many MC sweeps between subsequent records of states to disk +#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? -iterations=10 +#10000 +iterations=100 ###### Spherical harmonics ########### -- Gitblit v1.9.3