From 3de2893d882d2c407375146376fbf9bb54f33e8b Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Wed, 30 Apr 2014 13:44:12 +0000
Subject: [PATCH] Constant volume works. CAVEAT: in centermass I had to recalculate all normals of triangles again! This could influence behaviour of the system.
---
src/initial_distribution.c | 17 +++++++++++++++--
1 files changed, 15 insertions(+), 2 deletions(-)
diff --git a/src/initial_distribution.c b/src/initial_distribution.c
index 3c27e55..35d533d 100644
--- a/src/initial_distribution.c
+++ b/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);
@@ -69,6 +74,9 @@
}
}
+ for(i=0;i<vesicle->filament_list->n;i++){
+ vertex_list_assign_id(vesicle->filament_list->poly[i]->vlist,TS_ID_FILAMENT);
+ }
// vesicle->spring_constant=tape->kspring;
// poly_assign_spring_const(vesicle);
@@ -87,7 +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;
}
--
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