From 2870ab279d5dce60c24e7a3e35d8a5e421003548 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Sat, 08 Mar 2014 07:36:34 +0000 Subject: [PATCH] backuping vtxes complete. debugging bondflip --- src/io.c | 14 ++++++++++---- 1 files changed, 10 insertions(+), 4 deletions(-) diff --git a/src/io.c b/src/io.c index 8b51793..e43c1b9 100644 --- a/src/io.c +++ b/src/io.c @@ -336,12 +336,12 @@ ts_vesicle *parsetape(ts_uint *mcsweeps, ts_uint *inititer, ts_uint *iterations){ - long int nshell=17,ncxmax=60, ncymax=60, nczmax=60, npoly=10, nmono=20; // THIS IS DUE TO CONFUSE BUG! + long int nshell=17,ncxmax=60, ncymax=60, nczmax=60, npoly=10, nmono=20, pswitch=0; // THIS IS DUE TO CONFUSE BUG! char *buf=malloc(255*sizeof(char)); long int brezveze0=1; long int brezveze1=1; long int brezveze2=1; - ts_double xk0=25.0, dmax=1.67,stepsize=0.15,kspring=800.0; + ts_double xk0=25.0, dmax=1.67,stepsize=0.15,kspring=800.0,pressure=0.0; long int iter=1000, init=1000, mcsw=1000; @@ -351,7 +351,9 @@ CFG_SIMPLE_INT("nmono", &nmono), CFG_SIMPLE_FLOAT("dmax", &dmax), CFG_SIMPLE_FLOAT("xk0",&xk0), - CFG_SIMPLE_FLOAT("k_spring",&kspring), + CFG_SIMPLE_INT("pswitch",&pswitch), + CFG_SIMPLE_FLOAT("pressure",&pressure), + CFG_SIMPLE_FLOAT("k_spring",&kspring), CFG_SIMPLE_FLOAT("stepsize",&stepsize), CFG_SIMPLE_INT("nxmax", &ncxmax), CFG_SIMPLE_INT("nymax", &ncymax), @@ -389,12 +391,16 @@ vesicle->nshell=nshell; vesicle->dmax=dmax*dmax; vesicle->bending_rigidity=xk0; + vtx_set_global_values(vesicle); //copies xk0 to every vertex + + vesicle->stepsize=stepsize; vesicle->clist->ncmax[0]=ncxmax; vesicle->clist->ncmax[1]=ncymax; vesicle->clist->ncmax[2]=nczmax; vesicle->clist->max_occupancy=8; - + vesicle->pressure=pressure/vesicle->bending_rigidity; //all energy contributions need to be divided by bending_rigidity! + vesicle->pswitch=pswitch; cfg_free(cfg); free(buf); // fprintf(stderr,"NSHELL=%u\n",vesicle->nshell); -- Gitblit v1.9.3