From 384af9d04809481663a9fb350212b5e5880955aa Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Mon, 06 Jul 2020 12:13:19 +0000
Subject: [PATCH] Eigenvalues calculated wrongly
---
src/energy.c | 110 ++++++++++++++++++++++++++++++++++++++++++-------------
1 files changed, 84 insertions(+), 26 deletions(-)
diff --git a/src/energy.c b/src/energy.c
index 1f2bd1c..e67eadc 100644
--- a/src/energy.c
+++ b/src/energy.c
@@ -6,8 +6,9 @@
#include "bond.h"
#include<math.h>
#include<stdio.h>
-
-
+#include <gsl/gsl_vector_complex.h>
+#include <gsl/gsl_matrix.h>
+#include <gsl/gsl_eigen.h>
/** @brief Wrapper that calculates energy of every vertex in vesicle
*
* Function calculated energy of every vertex in vesicle. It can be used in
@@ -108,12 +109,40 @@
ts_triangle *lm=NULL, *lp=NULL;
ts_double sumnorm;
+
+ ts_double Se11, Se21, Se22, Se31, Se32, Se33;
+ ts_double Pv11, Pv21, Pv22, Pv31, Pv32, Pv33;
+ ts_double We;
+ ts_double Av, We_Av;
+
+ gsl_matrix *gsl_Sv=gsl_matrix_alloc(3,3);
+ gsl_vector_complex *Sv_eigen=gsl_vector_complex_alloc(3);
+ gsl_eigen_nonsymm_workspace *workspace=gsl_eigen_nonsymm_alloc(3);
+
+ ts_double mprod[7], phi[7], he[7];
+ ts_double Sv[3][3]={{0,0,0},{0,0,0},{0,0,0}};
// Here edge vector is calculated
// fprintf(stderr, "Vertex has neighbours=%d\n", vtx->neigh_no);
for(jj=0;jj<vtx->neigh_no;jj++){
edge_vector_x[jj]=vtx->neigh[jj]->x-vtx->x;
edge_vector_y[jj]=vtx->neigh[jj]->y-vtx->y;
edge_vector_z[jj]=vtx->neigh[jj]->z-vtx->z;
+ Av=0;
+ for(i=0; i<vtx->tristar_no; i++){
+ vertex_normal_x=vertex_normal_x + vtx->tristar[i]->xnorm*vtx->tristar[i]->area;
+ vertex_normal_y=vertex_normal_y + vtx->tristar[i]->ynorm*vtx->tristar[i]->area;
+ vertex_normal_z=vertex_normal_z + vtx->tristar[i]->znorm*vtx->tristar[i]->area;
+ Av+=vtx->tristar[i]->area/3;
+ }
+
+ Pv11=1-vertex_normal_x*vertex_normal_x;
+ Pv22=1-vertex_normal_y*vertex_normal_y;
+ Pv33=1-vertex_normal_z*vertex_normal_z;
+ Pv21=vertex_normal_x*vertex_normal_y;
+ Pv31=vertex_normal_x*vertex_normal_z;
+ Pv32=vertex_normal_y*vertex_normal_z;
+
+// printf("(%f %f %f)\n", vertex_normal_x, vertex_normal_y, vertex_normal_z);
it=vtx;
@@ -135,7 +164,7 @@
kp=it->neigh[neip];
if(km==NULL || kp==NULL){
- fatal("In bondflip, cannot determine km and kp!",999);
+ fatal("energy_vertex: cannot determine km and kp!",233);
}
for(i=0;i<it->tristar_no;i++){
@@ -155,22 +184,7 @@
}
}
}
-if(lm==NULL || lp==NULL) fatal("ts_flip_bond: Cannot find triangles lm and lp!",999);
-
-
-/*
- // We find lm and lp from k->tristar !
- cnt=0;
- for(i=0;i<vtx->tristar_no;i++){
- for(j=0;j<vtx->neigh[jj]->tristar_no;j++){
- if((vtx->tristar[i] == vtx->neigh[jj]->tristar[j])){ //ce gre za skupen trikotnik
- triedge[cnt]=vtx->tristar[i];
- cnt++;
- }
- }
- }
- if(cnt!=2) fatal("ts_energy_vertex: both triangles not found!", 133);
-*/
+if(lm==NULL || lp==NULL) fatal("energy_vertex: Cannot find triangles lm and lp!",233);
sumnorm=sqrt( pow((lm->xnorm + lp->xnorm),2) + pow((lm->ynorm + lp->ynorm), 2) + pow((lm->znorm + lp->znorm), 2));
@@ -183,16 +197,60 @@
edge_binormal_y[jj]=-(edge_normal_x[jj]*edge_vector_z[jj])+(edge_normal_z[jj]*edge_vector_x[jj]);
edge_binormal_z[jj]=(edge_normal_x[jj]*edge_vector_y[jj])-(edge_normal_y[jj]*edge_vector_x[jj]);
- printf("(%f %f %f); (%f %f %f); (%f %f %f)\n", edge_vector_x[jj], edge_vector_y[jj], edge_vector_z[jj], edge_normal_x[jj], edge_normal_y[jj], edge_normal_z[jj], edge_binormal_x[jj], edge_binormal_y[jj], edge_binormal_z[jj]);
+
+ mprod[jj]=it->x*(k->y*edge_vector_z[jj]-edge_vector_y[jj]*k->z)-it->y*(k->x*edge_vector_z[jj]-k->z*edge_vector_x[jj])+it->z*(k->x*edge_vector_y[jj]-k->y*edge_vector_x[jj]);
+ phi[jj]=copysign(acos(lm->xnorm*lp->xnorm+lm->ynorm*lp->ynorm+lm->znorm*lp->znorm),mprod[jj])+M_PI;
+ he[jj]=2.0*sqrt( pow((edge_vector_x[jj]*2),2) + pow((edge_vector_y[jj]*2), 2) + pow((edge_vector_z[jj]*2), 2))*cos(phi[jj]/2.0);
+
+
+ Se11=edge_binormal_x[jj]*edge_binormal_x[jj]*he[jj];
+ Se21=edge_binormal_x[jj]*edge_binormal_y[jj]*he[jj];
+ Se22=edge_binormal_y[jj]*edge_binormal_y[jj]*he[jj];
+ Se31=edge_binormal_x[jj]*edge_binormal_z[jj]*he[jj];
+ Se32=edge_binormal_y[jj]*edge_binormal_z[jj]*he[jj];
+ Se33=edge_binormal_z[jj]*edge_binormal_z[jj]*he[jj];
+
+ We=vertex_normal_x*edge_normal_x[jj]+vertex_normal_y*edge_normal_y[jj]+vertex_normal_z*edge_normal_z[jj];
+ We_Av=We/Av;
+
+ Sv[0][0]+=We_Av* ( Pv11*(Pv11*Se11+Pv21*Se21+Pv31*Se31)+Pv21*(Pv11*Se21+Pv21*Se22+Pv31*Se32)+Pv31*(Pv11*Se31+Pv21*Se32+Pv31*Se33) );
+ Sv[0][1]+=We_Av* (Pv21*(Pv11*Se11+Pv21*Se21+Pv31*Se31)+Pv22*(Pv11*Se21+Pv21*Se22+Pv31*Se32)+Pv32*(Pv11*Se31+Pv21*Se32+Pv31*Se33));
+ Sv[0][2]+=We_Av* (Pv31*(Pv11*Se11+Pv21*Se21+Pv31*Se31)+Pv32*(Pv11*Se21+Pv21*Se22+Pv31*Se32)+Pv33*(Pv11*Se31+Pv21*Se32+Pv31*Se33));
+
+ Sv[1][0]+=We_Av* (Pv11*(Pv21*Se11+Pv22*Se21+Pv32*Se31)+Pv21*(Pv21*Se21+Pv22*Se22+Pv32*Se32)+Pv31*(Pv21*Se31+Pv22*Se32+Pv32*Se33));
+ Sv[1][1]+=We_Av* (Pv21*(Pv21*Se11+Pv22*Se21+Pv32*Se31)+Pv22*(Pv21*Se21+Pv22*Se22+Pv32*Se32)+Pv32*(Pv21*Se31+Pv22*Se32+Pv32*Se33));
+ Sv[1][2]+=We_Av* (Pv31*(Pv21*Se11+Pv22*Se21+Pv32*Se31)+Pv32*(Pv21*Se21+Pv22*Se22+Pv32*Se32)+Pv33*(Pv21*Se31+Pv22*Se32+Pv32*Se33));
+
+ Sv[2][0]+=We_Av* (Pv11*(Pv31*Se11+Pv32*Se21+Pv33*Se31)+Pv21*(Pv31*Se21+Pv32*Se22+Pv33*Se32)+Pv31*(Pv31*Se31+Pv32*Se32+Pv33*Se33));
+ Sv[2][1]+=We_Av* (Pv21*(Pv31*Se11+Pv32*Se21+Pv33*Se31)+Pv22*(Pv31*Se21+Pv32*Se22+Pv33*Se32)+Pv32*(Pv31*Se31+Pv32*Se32+Pv33*Se33));
+ Sv[2][2]+=We_Av* (Pv31*(Pv31*Se11+Pv32*Se21+Pv33*Se31)+Pv32*(Pv31*Se21+Pv32*Se22+Pv33*Se32)+Pv33*(Pv31*Se31+Pv32*Se32+Pv33*Se33));
+// printf("(%f %f %f); (%f %f %f); (%f %f %f)\n", edge_vector_x[jj], edge_vector_y[jj], edge_vector_z[jj], edge_normal_x[jj], edge_normal_y[jj], edge_normal_z[jj], edge_binormal_x[jj], edge_binormal_y[jj], edge_binormal_z[jj]);
}
- for(i=0; i<vtx->tristar_no; i++){
- vertex_normal_x=vertex_normal_x + vtx->tristar[i]->xnorm*vtx->tristar[i]->area;
- vertex_normal_y=vertex_normal_y + vtx->tristar[i]->ynorm*vtx->tristar[i]->area;
- vertex_normal_z=vertex_normal_z + vtx->tristar[i]->znorm*vtx->tristar[i]->area;
- }
- printf("(%f %f %f)\n", vertex_normal_x, vertex_normal_y, vertex_normal_z);
+
+ gsl_matrix_set(gsl_Sv, 0,0, Sv[0][0]);
+ gsl_matrix_set(gsl_Sv, 0,1, Sv[0][1]);
+ gsl_matrix_set(gsl_Sv, 0,2, Sv[0][2]);
+ gsl_matrix_set(gsl_Sv, 1,0, Sv[1][0]);
+ gsl_matrix_set(gsl_Sv, 1,1, Sv[1][1]);
+ gsl_matrix_set(gsl_Sv, 1,2, Sv[1][2]);
+ gsl_matrix_set(gsl_Sv, 2,0, Sv[2][0]);
+ gsl_matrix_set(gsl_Sv, 2,1, Sv[2][1]);
+ gsl_matrix_set(gsl_Sv, 2,2, Sv[2][2]);
+
+ gsl_eigen_nonsymm_params(0, 1, workspace);
+ gsl_eigen_nonsymm(gsl_Sv, Sv_eigen, workspace);
+
+ printf("Eigenvalues: %f+ i%f, %f+i%f, %f+i%f\n",
+ GSL_REAL(gsl_vector_complex_get(Sv_eigen, 0)), GSL_IMAG(gsl_vector_complex_get(Sv_eigen, 0)),
+ GSL_REAL(gsl_vector_complex_get(Sv_eigen, 1)), GSL_IMAG(gsl_vector_complex_get(Sv_eigen, 1)),
+ GSL_REAL(gsl_vector_complex_get(Sv_eigen, 2)), GSL_IMAG(gsl_vector_complex_get(Sv_eigen, 2))
+ );
vtx->energy=0.0;
+
+ gsl_matrix_free(gsl_Sv);
+ gsl_vector_complex_free(Sv_eigen);
+ gsl_eigen_nonsymm_free(workspace);
return TS_SUCCESS;
}
--
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