Version 1.0c

Makefile

@@ -18,8 +18,8 @@
 ############################################################################
 
 
-TOPDIR= /usb/carat/tmp/carat
-CC = cc
+TOPDIR= /usb/carat
+CC = gcc
 
 # There are some special preprocessor flags which set some
 # memory diagnostics:
@@ -28,11 +28,11 @@ CC = cc
 # have a general control whats going on. THIS IS VERY SLOW.
 # For the normal user we recommend neither to use -DDIAG1 nor -DDIAG2!
 
-# CFLAGS = -g -fwritable-strings -DDIAG1 # for a HP-UX-machine using gcc (momo)
+CFLAGS = -g -fPIC -fwritable-strings -DDIAG1 # for a HP-UX-machine using gcc (momo)
                                        # the flag -fwritable-strings is
                                        # required for the use with gcc
 
-CFLAGS = -g -Aa                        # for a HP-UX-machine using cc
+# CFLAGS = -g -Aa                        # for a HP-UX-machine using cc
 
 # CFLAGS = -m486 -O2                     # on a Linux machine (i486)
 

bin/Makefile

@@ -1,5 +1,5 @@
 CC = gcc
-CFLAGS = -fwritable-strings -DDIAG1
+CFLAGS = -fwritable-strings -DDIAG1 -pg
 TOPDIR = /usb/carat
 
 # LIB = -L$(TOPDIR)/lib -lcarat -lm
@@ -24,14 +24,14 @@ ALL: Add Aut_grp Bravais_equiv\
      Conv Datei\
      Elt Extract Extensions\
      First_perfect Form_space Form_elt\
-     Formtovec Full Gauss\
+     Formtovec Full Fundamental_domain Gauss\
      Idem Inv Invar_space Isometry Is_finite\
      Kron Long_solve Ltm\
      Modp Mtl Mul Mink_red Minpol\
      Normalizer Normalizer_in_N Normlin\
      Orbit Order\
-     Pair_red Pdet Perfect_neighbours Polyeder P_lse_solve\
-     Presentation QtoZ Red_gen Rest_short Rein Rform Roundcor\
+     Pair_red Pdet Perfect_neighbours Poincare Polyeder P_lse_solve\
+     Presentation QtoZ Red_gen Rest_short Rein Rform\
      Same_generators Scalarmul Scpr Short\
      Shortest Short_reduce Signature\
      Simplify_mat Symbol\
@@ -119,6 +119,10 @@ Full:  $(SRC)/full.c
 	$(COMP) -o Full\
         $(SRC)/full.c  $(LIB)
 
+Fundamental_domain:  $(SRC)/fundamental_domain.c
+	$(COMP) -o Fundamental_domain\
+        $(SRC)/fundamental_domain.c  $(LIB)
+
 Gauss:  $(SRC)/gauss.c
 	$(COMP) -o Gauss\
         $(SRC)/gauss.c  $(LIB)
@@ -227,6 +231,10 @@ Perfect_neighbours:  $(SRC)/perfect_neighbours.c
 	$(COMP) -o Perfect_neighbours\
         $(SRC)/perfect_neighbours.c  $(LIB)
 
+Poincare:  $(SRC)/poincare.c
+	$(COMP) -o Poincare\
+        $(SRC)/poincare.c  $(LIB)
+
 Polyeder:  $(SRC)/polyeder.c
 	$(COMP) -o Polyeder\
         $(SRC)/polyeder.c  $(LIB)
@@ -239,9 +247,9 @@ QtoZ:  $(SRC)/qtoz.c
 	$(COMP) -o QtoZ\
         $(SRC)/qtoz.c  $(LIB)
 
-Presentation:  $(SRC)/kommureihe.c
+Presentation:  $(SRC)/presentation.c
 	$(COMP) -o Presentation\
-        $(SRC)/kommureihe.c $(LIB)
+        $(SRC)/presentation.c $(LIB)
 
 Red_gen:  $(SRC)/red_gen.c
 	$(COMP) -o Red_gen\
@@ -259,10 +267,6 @@ Rform:  $(SRC)/rform.c
 	$(COMP) -o Rform\
         $(SRC)/rform.c  $(LIB)
 
-Roundcor:  $(SRC)/roundcor.c
-	$(COMP) -o Roundcor\
-        $(SRC)/roundcor.c $(LIB)
-
 Same_generators:  $(SRC)/same_generators.c
 	$(COMP) -o Same_generators\
         $(SRC)/same_generators.c  $(LIB)
@@ -371,6 +375,7 @@ clean:
 	rm -f Form_space
 	rm -f Formtovec
 	rm -f Full
+	rm -f Fundamental_domain
 	rm -f Gauss
 	rm -f Gittstab
 	rm -f Hypisom
@@ -401,6 +406,7 @@ clean:
 	rm -f Pdet
 	rm -f Perfect_neighbours
 	rm -f Polyeder
+	rm -f Poincare
 	rm -f Rein
 	rm -f Rest_short
 	rm -f Rform
@@ -429,7 +435,6 @@ clean:
 	rm -f Red_gen
 	rm -f Conjugated
 	rm -f Order
-	rm -f Roundcor
 	rm -f Malloc_liste
 	rm -f Presentation
 	rm -f QtoZ

functions/Base/base.c

@@ -126,7 +126,7 @@ extern void extend_bahn(bahn **a)
                  sizeof(matrix_TYP *) * a[0]->speicher);
    a[0]->rep_invs = (matrix_TYP **) realloc(a[0]->rep_invs,
                  sizeof(matrix_TYP *) * a[0]->speicher);
-   a[0]->generators = (matrix_TYP **) realloc(a[0]->representatives,
+   a[0]->generators = (matrix_TYP **) realloc(a[0]->generators,
                  sizeof(matrix_TYP *) * a[0]->speicher);
 }
 
@@ -273,6 +273,9 @@ int einordnen(bahn** erg,matrix_TYP *h, matrix_TYP *new_vec,int l,
          if (l != (-1)){
             if (erg[l]->speicher<=erg[l]->length){
                extend_bahn(erg+l);
+
+               /* this is so seldom used that we might as well check wheter
+                  the group is infinite, find a solution later !! */
             }
             erg[l]->orbit[erg[l]->length]=new_vec;
             erg[l]->representatives[erg[l]->length]=h;

functions/Bravais/bravais_tools.c

@@ -17,15 +17,17 @@
 @
 @------------------------------------------------------------------------------
 @
-@ bravais_TYP *bravais_group(bravais_TYP *H)
+@ bravais_TYP *bravais_group(bravais_TYP *H,int flag)
 @
 @ Calculates the bravais group of H. the result G of this function
 @ will have G->gen and G->form assigned.
 @ The program relies on H->form to be correct if it is given.
+@ If flag>0, then the function will pair reduce the first form.
+@ It is save to use this optiuon, but slower in well behaved examples.
 @------------------------------------------------------------------------------
 @
 ******************************************************************************/
-bravais_TYP *bravais_group(bravais_TYP *H)
+bravais_TYP *bravais_group(bravais_TYP *H,int flag)
 {
    int i,
        F_no;
@@ -39,7 +41,10 @@ bravais_TYP *bravais_group(bravais_TYP *H)
 
    ID = init_mat(H->dim,H->dim,"1");
    PF = rform(H->gen,H->gen_no,ID,101);
-   SV = short_vectors(PF,max_diagonal_entry(PF),0,0,0,&i);
+
+   if (!flag){
+      SV = short_vectors(PF,max_diagonal_entry(PF),0,0,0,&i);
+   }
 
    /* calculate the formspace if not given */
    if (H->form_no == 0){
@@ -52,8 +57,13 @@ bravais_TYP *bravais_group(bravais_TYP *H)
    for (i=0;i<F_no;i++) F[i+1] = copy_mat(H->form[i]);
    F[0] = PF;
 
-   /* call autgrp to get the result */
-   G = autgrp(F,F_no+1,SV,NULL,0,NULL);
+   if (!flag){
+      /* call autgrp to get the result */
+      G = autgrp(F,F_no+1,SV,NULL,0,NULL);
+   }
+   else{
+      G = pr_aut(F,F_no+1,NULL,0,NULL);
+   }
 
    /* copy the forms to G->form */
    G->form = (matrix_TYP **) malloc(F_no * sizeof(matrix_TYP *));
@@ -63,7 +73,7 @@ bravais_TYP *bravais_group(bravais_TYP *H)
    /* clean up */
    free(F);
    free_mat(PF);
-   free_mat(SV);
+   if (!flag) free_mat(SV);
    free_mat(ID);
 
    return G;   

functions/Datei/read_symbol.c

@@ -86,7 +86,7 @@ for( i=0; i<MAXDIM; i++)
 for(i=0; i<MAXDIM; i++)
   for(j=0; j<5;j++)
     zerleg[i][j] = 0;
-printf("Please input the symbol for the cristal-family: ");
+printf("Please input the symbol for the crystal-family: ");
 fscanf (infile, "%[ \t\n]", string);
 fscanf (infile, "%[^\n]",string);
 strtok (string, "%");

functions/Idem/symbol.c

@@ -339,7 +339,7 @@ char *symbol(bravais_TYP *G,matrix_TYP *F)
   /* calculate the bravais group for each homogenous module,
      and search it in the list */
   for (i=0;i<hom_no;i++){
-     brav = bravais_group(hom[i].group);
+     brav = bravais_group(hom[i].group,FALSE);
      symb[i] = identify_hom(brav,i==(hom_no-1));
      free_bravais(brav);
      len += strlen(symb[i]);

functions/Matrix/mul_mat.c

@@ -86,6 +86,9 @@ matrix_TYP *L_mat, *R_mat ;
 {
 matrix_TYP *P_mat;
 int **L, **R, **P ;
+int *L_i,
+    *R_j,
+    *P_i;
 int  rL, cL, rR, cR, rP, cP ;
 int i, j, k ;
 
@@ -100,19 +103,23 @@ int i, j, k ;
   R = R_mat->array.SZ;
   P = P_mat->array.SZ;
 
-  for (i = 0; i < rL; i++)
-    for (j = 0; j < cL; j++ ) 
+  for (i = 0; i < rL; i++){
+    L_i = L[i];
+    P_i = P[i];
+    for (j = 0; j < cL; j++) 
     {
-      if ( L[i][j])
+      R_j = R[j];
+      if ( L_i[j])
         if ( R_mat->flags.Diagonal ) 
         {
-          if (R[j][j]) P[i][j] = L[i][j] * R[j][j];
+          if (R_j[j]) P_i[j] = L_i[j] * R_j[j];
         }
         else
           for (k = 0; k < cR; k++)
-            if (R[j][k]) P[i][k] += L[i][j] * R[j][k];
+            if (R_j[k])
+               P_i[k] += L_i[j] * R_j[k];
     }
-
+  } 
   P_mat->kgv = L_mat->kgv * R_mat->kgv;
   P_mat->flags.Integral  = (P_mat->kgv == 1);
   P_mat->flags.Scalar = L_mat->flags.Scalar && R_mat->flags.Scalar;

functions/Orbit/orb_division.c

@@ -46,13 +46,11 @@ int is_sorted;
    extern int mat_comp();
 
   erg = init_mat(2, Manz, "");
-  if((merk = (int *)malloc(Manz *sizeof(int))) == NULL)
+  if((merk = (int *)calloc(Manz , sizeof(int))) == NULL)
   {
-    printf("malloc of 'merk' in 'orbit_representatives' failed\n");
+    printf("calloc of 'merk' in 'orbit_representatives' failed\n");
     exit(2);
   }
-  for(i=0;i<Manz;i++)
-     merk[i] = 0;
 
   i = 0;
   no = 0;