Trisurf Monte Carlo simulator
Samo Penic
2014-05-06 7d5e22d9eda3020e8b2b3fd8a70f25306561b401
src/initial_distribution.c
@@ -11,6 +11,8 @@
#include "energy.h"
#include "poly.h"
#include "io.h"
#include "sh.h"
#include "shcomplex.h"
ts_vesicle *initial_distribution_dipyramid(ts_uint nshell, ts_uint ncmax1, ts_uint ncmax2, ts_uint ncmax3, ts_double stepsize){
   ts_fprintf(stdout,"Starting initial_distribution on vesicle with %u shells!...\n",nshell);
@@ -40,8 +42,11 @@
   ts_vertex *vtx;
   vesicle=initial_distribution_dipyramid(tape->nshell,tape->ncxmax,tape->ncymax,tape->nczmax,tape->stepsize);
    vesicle->tape=tape;
   // Nucleus:
   vesicle->R_nucleus=tape->R_nucleus;
   vesicle->R_nucleus=tape->R_nucleus*tape->R_nucleus;
   vesicle->clist->dmin_interspecies = tape->dmin_interspecies*tape->dmin_interspecies;
   //Initialize grafted polymers (brush):
   vesicle->poly_list=init_poly_list(tape->npoly,tape->nmono, vesicle->vlist, vesicle);
@@ -79,7 +84,6 @@
   
   vesicle->nshell=tape->nshell;
   vesicle->dmax=tape->dmax*tape->dmax; /* dmax^2 in the vesicle dmax variable */
   vesicle->clist->dmin_interspecies = tape->dmin_interspecies*tape->dmin_interspecies;
   vesicle->bending_rigidity=tape->xk0;
   vtx_set_global_values(vesicle); /* make xk0 default value for every vertex */ 
   ts_fprintf(stdout, "Tape setting: xk0=%e\n",tape->xk0);
@@ -91,7 +95,12 @@
   vesicle->pressure= tape->pressure;
   vesicle->pswitch=tape->pswitch;
    if(tape->shc>0){
       vesicle->sphHarmonics=complex_sph_init(vesicle->vlist,tape->shc);
    }
    else {
        vesicle->sphHarmonics=NULL;
    }
    return vesicle;
}