From 7522b886602380764ce76f1d2244fad11bd1054f Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Fri, 08 Mar 2019 19:56:03 +0000
Subject: [PATCH] Full write of constant volume plugin
---
src/shcomplex.c | 33 ++++++++++++++++++---------------
1 files changed, 18 insertions(+), 15 deletions(-)
diff --git a/src/shcomplex.c b/src/shcomplex.c
index 1c97600..bd3a733 100644
--- a/src/shcomplex.c
+++ b/src/shcomplex.c
@@ -1,3 +1,4 @@
+/* vim: set ts=4 sts=4 sw=4 noet : */
#include<math.h>
#include<stdlib.h>
#include<gsl/gsl_complex.h>
@@ -68,7 +69,7 @@
if(sph->co != NULL) free(sph->co);
if(sph->ulm !=NULL) free(sph->ulm);
if(sph->ulmComplex !=NULL) free(sph->ulmComplex);
-
+ if(sph->sumUlm2 !=NULL) free(sph->sumUlm2);
if(sph->Ylmi!=NULL) {
for(i=0;i<sph->l;i++){
if(sph->Ylmi[i]!=NULL){
@@ -130,30 +131,32 @@
}
-ts_double calculateKc(ts_vesicle *vesicle){
-
- ts_int i,j;
+ts_double calculateKc(ts_vesicle *vesicle, ts_int lmin, ts_int lmax){
+ ts_int min=lmin;
+ ts_int max=lmax; //vesicle->sphHarmonics->l-3;
+ ts_long i,j;
ts_double retval, bval;
- gsl_matrix *A=gsl_matrix_alloc(vesicle->sphHarmonics->l-1,2);
+ gsl_matrix *A=gsl_matrix_alloc(max-min,2);
gsl_vector *tau=gsl_vector_alloc(2);
- gsl_vector *b=gsl_vector_alloc(vesicle->sphHarmonics->l-1);
+ gsl_vector *b=gsl_vector_alloc(max-min);
gsl_vector *x=gsl_vector_alloc(2);
- gsl_vector *res=gsl_vector_alloc(vesicle->sphHarmonics->l-1);
+ gsl_vector *res=gsl_vector_alloc(max-min);
//solving (A^T*A)*x=A^T*b
//fill the data for matrix A and vector b
- for(i=1;i<vesicle->sphHarmonics->l;i++){
- gsl_matrix_set(A, i-1,0,(ts_double)((i-1)*(i+2)));
- gsl_matrix_set(A, i-1,1,(ts_double)((i-1)*(i+2)*(i+1)*i));
-
- bval=0;
+ for(i=min;i<max;i++){
+ gsl_matrix_set(A, i-min,0,(ts_double)((i-1)*(i+2)));
+ gsl_matrix_set(A, i-min,1,(ts_double)((i-1)*(i+2)*(i+1)*i));
+// fprintf(stderr,"%e %e\n", gsl_matrix_get(A,i-min,0), gsl_matrix_get(A,i-min,1));
+ bval=0.0;
//average for m from 0..l (only positive m's)
- for(j=0;j<i;j++){
+ for(j=0;j<=i;j++){
bval+=vesicle->sphHarmonics->sumUlm2[i][(j+i)];
}
- bval=bval/(ts_double)vesicle->sphHarmonics->N/(ts_double)i;
+ bval=bval/(ts_double)vesicle->sphHarmonics->N/(ts_double)(i+1);
- gsl_vector_set(b,i-1,1.0/bval);
+ gsl_vector_set(b,i-min,1.0/bval);
+// fprintf(stderr,"%e\n", 1.0/gsl_vector_get(b,i-min));
}
// fprintf(stderr,"b[2]=%e\n",gsl_vector_get(b,1));
gsl_linalg_QR_decomp(A,tau);
--
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