LORENE
cmp_raccord.C
1 /*
2  * Copyright (c) 2000-2001 Philippe Grandclement
3  *
4  * This file is part of LORENE.
5  *
6  * LORENE is free software; you can redistribute it and/or modify
7  * it under the terms of the GNU General Public License as published by
8  * the Free Software Foundation; either version 2 of the License, or
9  * (at your option) any later version.
10  *
11  * LORENE is distributed in the hope that it will be useful,
12  * but WITHOUT ANY WARRANTY; without even the implied warranty of
13  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
14  * GNU General Public License for more details.
15  *
16  * You should have received a copy of the GNU General Public License
17  * along with LORENE; if not, write to the Free Software
18  * Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
19  *
20  */
21 
22 
23 char cmp_raccord_C[] = "$Header: /cvsroot/Lorene/C++/Source/Cmp/cmp_raccord.C,v 1.4 2014/10/13 08:52:48 j_novak Exp $" ;
24 
25 /*
26  * $Id: cmp_raccord.C,v 1.4 2014/10/13 08:52:48 j_novak Exp $
27  * $Log: cmp_raccord.C,v $
28  * Revision 1.4 2014/10/13 08:52:48 j_novak
29  * Lorene classes and functions now belong to the namespace Lorene.
30  *
31  * Revision 1.3 2014/10/06 15:13:03 j_novak
32  * Modified #include directives to use c++ syntax.
33  *
34  * Revision 1.2 2003/10/03 15:58:45 j_novak
35  * Cleaning of some headers
36  *
37  * Revision 1.1.1.1 2001/11/20 15:19:27 e_gourgoulhon
38  * LORENE
39  *
40  * Revision 2.1 2000/09/07 13:19:58 phil
41  * *** empty log message ***
42  *
43  * Revision 2.0 2000/06/06 12:18:27 phil
44  * *** empty log message ***
45  *
46  *
47  * $Header: /cvsroot/Lorene/C++/Source/Cmp/cmp_raccord.C,v 1.4 2014/10/13 08:52:48 j_novak Exp $
48  *
49  */
50 
51 //standard
52 #include <cstdlib>
53 #include <cmath>
54 
55 // LORENE
56 #include "matrice.h"
57 #include "cmp.h"
58 #include "proto.h"
59 
60 
61 namespace Lorene {
62 Matrice matrice_raccord_pair (int cont, double alpha_kernel) {
63 
64  Matrice systeme (cont, cont) ;
65  systeme.set_etat_qcq() ;
66  for (int i=0 ; i<cont ; i++)
67  for (int j=0 ; j<cont ; j++)
68  systeme.set(i, j) = 0 ;
69 
70  double somme ;
71  for (int i=0 ; i<cont ; i++)
72  for (int k=0 ; k<cont ; k++)
73  if (k<= 2*i) {
74  somme = 1 ;
75  for (int boucle=0 ; boucle<k ; boucle++)
76  somme *= (4*i*i-boucle*boucle)/(2.*boucle+1.)/alpha_kernel ;
77  systeme.set(k, i) = somme ;
78  }
79  int inf = (cont%2 == 1) ? (cont-1)/2 : (cont-2)/2 ;
80  systeme.set_band (cont-1, inf) ;
81  systeme.set_lu() ;
82  return systeme ;
83 }
84 
85 Matrice matrice_raccord_impair (int cont, double alpha_kernel) {
86 
87  Matrice systeme (cont, cont) ;
88  systeme.set_etat_qcq() ;
89  for (int i=0 ; i<cont ; i++)
90  for (int j=0 ; j<cont ; j++)
91  systeme.set(i, j) = 0 ;
92 
93  double somme ;
94  for (int i=0 ; i<cont ; i++)
95  for (int k=0 ; k<cont ; k++)
96  if (k<= 2*i+1) {
97  somme = 1 ;
98  for (int boucle=0 ; boucle<k ; boucle++)
99  somme *= (pow(2*i+1, 2.)-boucle*boucle)/(2.*boucle+1.)/alpha_kernel ;
100  systeme.set(k, i) = somme ;
101  }
102  int inf = (cont%2 == 0) ? cont/2 : (cont-1)/2 ;
103  systeme.set_band (cont-1, inf) ;
104  systeme.set_lu() ;
105  return systeme ;
106 }
107 
108 
109 Tbl sec_membre_raccord (Tbl coef, int cont, double alpha_shell) {
110 
111  assert (coef.get_etat() != ETATNONDEF) ;
112  int nr = coef.get_dim(0) ;
113 
114  Tbl sec_membre(cont) ;
115  sec_membre.set_etat_qcq() ;
116  for (int i=0 ; i<cont ; i++)
117  sec_membre.set(i) = 0 ;
118 
119  double somme ;
120  for (int i=0 ; i<nr ; i++)
121  for (int k=0 ; k<cont ; k++)
122  if (k<= i) {
123  somme = 1 ;
124  for (int boucle=0 ; boucle<k ; boucle++)
125  somme *= (i*i-boucle*boucle)/(2.*boucle+1.)/alpha_shell ;
126  if ((i+k)%2 == 0)
127  sec_membre.set(k) += coef(i)*somme ;
128  else
129  sec_membre.set(k) -= coef(i)*somme ;
130  }
131 
132  return sec_membre ;
133 }
134 
135 
136 Tbl regularise (Tbl coef, int nr, int base_r) {
137 
138  assert ((base_r == R_CHEBI) || (base_r == R_CHEBP)) ;
139  assert (coef.get_etat() != ETATNONDEF) ;
140  int cont = coef.get_dim(0) ;
141  assert (nr >= cont) ;
142 
143  Tbl resu (nr) ;
144  resu.set_etat_qcq() ;
145 
146  double* x4coef = new double[nr] ;
147  for (int i=0 ; i<cont ; i++)
148  x4coef[i] = coef(i) ;
149  for (int i=cont ; i<nr ; i++)
150  x4coef[i] = 0 ;
151  double* x6coef = new double[nr] ;
152 
153  multx2_1d (nr, &x4coef, base_r) ;
154  multx2_1d (nr, &x4coef, base_r) ;
155  for (int i=0 ; i<nr ; i++)
156  x6coef[i] = x4coef[i] ;
157  multx2_1d (nr, &x6coef, base_r) ;
158 
159  for (int i=0 ; i<nr ; i++)
160  resu.set(i) = 3*x4coef[i]-2*x6coef[i] ;
161 
162  delete [] x4coef ;
163  delete [] x6coef ;
164 
165  return resu ;
166 }
167 
168 
169 
170 void Cmp::raccord (int aux) {
171  assert (etat != ETATNONDEF) ;
172 
173  assert (aux >=0) ;
174  int cont = aux+1 ;
175 
176  const Map_af* mapping = dynamic_cast<const Map_af*>(get_mp() ) ;
177 
178  if (mapping == 0x0) {
179  cout <<
180  "raccord : The mapping does not belong to the class Map_af !"
181  << endl ;
182  abort() ;
183  }
184 
185  assert (mapping->get_mg()->get_type_r(1) == FIN) ;
186  assert (mapping->get_mg()->get_type_r(0) == RARE) ;
187 
188  // On passe en Ylm et vire tout dans la zone interne...
189  va.coef() ;
190  va.ylm() ;
191  va.set_etat_cf_qcq() ;
192  va.c_cf->t[0]->annule_hard() ;
193 
194  // Confort :
195  int nz = mapping->get_mg()->get_nzone() ;
196  int nbrer_kernel = mapping->get_mg()->get_nr(0) ;
197  int nbrer_shell = mapping->get_mg()->get_nr(1) ;
198 
199  int nbret_kernel = mapping->get_mg()->get_nt(0) ;
200  int nbret_shell = mapping->get_mg()->get_nt(1) ;
201 
202  int nbrep_kernel = mapping->get_mg()->get_np(0) ;
203  int nbrep_shell = mapping->get_mg()->get_np(1) ;
204 
205  double alpha_kernel = mapping->get_alpha()[0] ;
206  double alpha_shell = mapping->get_alpha()[1] ;
207 
208  int base_r, m_quant, l_quant ;
209 
210  for (int k=0 ; k<nbrep_kernel+1 ; k++)
211  for (int j=0 ; j<nbret_kernel ; j++)
212  if (nullite_plm(j, nbret_kernel, k,nbrep_kernel, va.base) == 1)
213  if (nullite_plm(j, nbret_shell, k, nbrep_shell, va.base) == 1)
214  {
215  // calcul des nombres quantiques :
216  donne_lm(nz, 0, j, k, va.base, m_quant, l_quant, base_r) ;
217  assert ((base_r == R_CHEBP) || (base_r == R_CHEBI)) ;
218 
219  Matrice systeme(cont, cont) ;
220 
221  Tbl facteur (nbrer_kernel) ;
222  facteur.annule_hard() ;
223  for (int i=0 ; i<nbrer_shell ; i++)
224  if (i<nbrer_kernel)
225  facteur.set(i) = (*va.c_cf)(1, k, j, i) ;
226 
227  Tbl sec_membre (sec_membre_raccord (facteur, cont, alpha_shell)) ;
228 
229  if (base_r == R_CHEBP)
230  systeme = matrice_raccord_pair (cont, alpha_kernel) ;
231  else
232  systeme = matrice_raccord_impair (cont, alpha_kernel) ;
233 
234  Tbl soluce (systeme.inverse(sec_membre)) ;
235  Tbl regulier (nbrer_kernel) ;
236 
237  if (l_quant == 0)
238  for (int i=0 ; i<cont ; i++)
239  va.c_cf->set(0, k, j, i) = soluce(i) ;
240  else {
241  if (l_quant %2 == 0)
242  regulier = regularise (soluce, nbrer_kernel, R_CHEBP) ;
243  else
244  regulier = regularise (soluce, nbrer_kernel, R_CHEBI) ;
245 
246  for (int i=0 ; i<nbrer_kernel ; i++)
247  va.c_cf->set(0, k, j, i) = regulier(i) ;
248  }
249  }
250  va.ylm_i() ;
251 }
252 }
Valeur va
The numerical value of the Cmp
Definition: cmp.h:464
int etat
Logical state (ETATNONDEF , ETATQCQ or ETATZERO ).
Definition: cmp.h:454
const Map * get_mp() const
Returns the mapping.
Definition: cmp.h:901
void raccord(int n)
Performs the matching of the nucleus with respect to the first shell.
Definition: cmp_raccord.C:170
Affine radial mapping.
Definition: map.h:2027
const double * get_alpha() const
Returns the pointer on the array alpha.
Definition: map_af.C:477
const Mg3d * get_mg() const
Gives the Mg3d on which the mapping is defined.
Definition: map.h:765
Matrix handling.
Definition: matrice.h:152
Tbl inverse(const Tbl &sec_membre) const
Solves the linear system represented by the matrix.
Definition: matrice.C:424
int get_np(int l) const
Returns the number of points in the azimuthal direction ( ) in domain no. l.
Definition: grilles.h:462
int get_nt(int l) const
Returns the number of points in the co-latitude direction ( ) in domain no. l.
Definition: grilles.h:457
int get_nzone() const
Returns the number of domains.
Definition: grilles.h:448
int get_nr(int l) const
Returns the number of points in the radial direction ( ) in domain no. l.
Definition: grilles.h:452
int get_type_r(int l) const
Returns the type of sampling in the radial direction in domain no.
Definition: grilles.h:474
Tbl ** t
Array (size nzone ) of pointers on the Tbl 's which contain the spectral coefficients in each domain.
Definition: mtbl_cf.h:205
Tbl & set(int l)
Read/write of the Tbl containing the coefficients in a given domain.
Definition: mtbl_cf.h:294
Basic array class.
Definition: tbl.h:161
void annule_hard()
Sets the Tbl to zero in a hard way.
Definition: tbl.C:372
double & set(int i)
Read/write of a particular element (index i) (1D case)
Definition: tbl.h:281
void set_etat_cf_qcq()
Sets the logical state to ETATQCQ (ordinary state) for values in the configuration space (Mtbl_cf c_c...
Definition: valeur.C:712
void ylm()
Computes the coefficients of *this.
Definition: valeur_ylm.C:138
Mtbl_cf * c_cf
Coefficients of the spectral expansion of the function.
Definition: valeur.h:302
void coef() const
Computes the coeffcients of *this.
Definition: valeur_coef.C:148
void ylm_i()
Inverse of ylm()
Definition: valeur_ylm_i.C:131
Base_val base
Bases on which the spectral expansion is performed.
Definition: valeur.h:305
Cmp pow(const Cmp &, int)
Power .
Definition: cmp_math.C:348
#define R_CHEBI
base de Cheb. impaire (rare) seulement
Definition: type_parite.h:170
#define R_CHEBP
base de Cheb. paire (rare) seulement
Definition: type_parite.h:168
Lorene prototypes.
Definition: app_hor.h:64