From fedf2b217113800a15f367e111e2dbcad4a3c92c Mon Sep 17 00:00:00 2001
From: Miha <mihaf@hapi.(none)>
Date: Thu, 06 Feb 2014 17:39:37 +0000
Subject: [PATCH] Polymers thermicaly move now! HArmonic potential added.
---
src/spherical_trisurf.c | 41 ++++++++++++++++++++++++++++++++++++-----
1 files changed, 36 insertions(+), 5 deletions(-)
diff --git a/src/spherical_trisurf.c b/src/spherical_trisurf.c
index 82e500a..7fa40f9 100644
--- a/src/spherical_trisurf.c
+++ b/src/spherical_trisurf.c
@@ -19,11 +19,14 @@
*/
ts_bool saveAvgUlm2(ts_vesicle *vesicle);
int main(int argv, char *argc[]){
-ts_uint i,j;
+ts_uint i,j,k;
ts_vesicle *vesicle;
ts_double r0;
vesicle=initial_distribution_dipyramid(17,60,60,60,0.15);
//parsetape(vesicle,&i);
+
+//similar to nmax in fortran code
+ts_uint nmax;
//these four must come from parsetype!
vesicle->dmax=1.67*1.67;
@@ -33,6 +36,21 @@
//fprintf(stderr,"xk=%f",vesicle->bending_rigidity);
centermass(vesicle);
+cell_occupation(vesicle);
+
+//test if the structure is internally organized into cells correctly
+ts_uint cind;
+for(i=0;i<vesicle->vlist->n;i++){
+ cind=vertex_self_avoidance(vesicle, vesicle->vlist->vtx[i]);
+
+ if(vesicle->clist->cell[cind]==vesicle->vlist->vtx[i]->cell){
+ //fprintf(stdout,"(T) Idx match!\n");
+ } else {
+ fprintf(stderr,"(T) ***** Idx don't match!\n");
+
+ }
+}
+//end test
vesicle->sphHarmonics=sph_init(vesicle->vlist, 21);
vesicle_volume(vesicle);
@@ -42,14 +60,25 @@
calculateYlmi(vesicle);
calculateUlm(vesicle);
-
-
-for(i=0;i<10;i++){
+//preloop:
+for(i=0;i<1000;i++){
cell_occupation(vesicle);
for(j=0;j<1000;j++){
single_timestep(vesicle);
}
centermass(vesicle);
+ fprintf(stderr, "Preloop %d completed.\n",i+1);
+}
+
+nmax=1000;
+for(i=0;i<nmax;i++){
+ for(j=0;j<200;j++){
+ cell_occupation(vesicle);
+ for(k=0;k<5;k++){
+ single_timestep(vesicle);
+ }
+ centermass(vesicle);
+ }
vesicle_volume(vesicle);
r0=getR0(vesicle);
@@ -61,8 +90,10 @@
saveAvgUlm2(vesicle);
write_vertex_xml_file(vesicle,i);
- fprintf(stderr, "Loop %d completed.\n",i+1);
+ fprintf(stderr, "Loop %d out of %d completed.\n",i+1,nmax);
+
}
+
write_master_xml_file("test.pvd");
write_dout_fcompat_file(vesicle,"dout");
vesicle_free(vesicle);
--
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