remove a bunch of compiler warnings (#41)

* "modernization" and removing compiler warnings * more warning cleanup --------- Co-authored-by: Greg Landrum <[email protected]>
greglandrum · Apr 8, 2024 · 7a49197 · 7a49197
1 parent 719975c
commit 7a49197
Show file tree

Hide file tree

Showing 33 changed files with 210 additions and 613 deletions.
diff --git a/tightbind/COOP_stuff.c b/tightbind/COOP_stuff.c
@@ -70,16 +70,9 @@ OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
   * Action:   This evaluates and returns the actual COOP.
   *
   ****************************************************************************/
- real eval_COOP(COOP,details,cell,num_orbs,prop_info,R_overlaps,orbital_ordering,
-                 orbital_lookup_table)
-   COOP_type *COOP;
-   detail_type *details;
-   cell_type *cell;
-   int num_orbs;
-   avg_prop_info_type *prop_info;
-   hermetian_matrix_type R_overlaps;
-   K_orb_ptr_type *orbital_ordering;
-   int *orbital_lookup_table;
+ real eval_COOP(COOP_type *COOP,detail_type *details,cell_type *cell,int num_orbs,avg_prop_info_type *prop_info,hermetian_matrix_type R_overlaps,
+                K_orb_ptr_type *orbital_ordering,
+                int *orbital_lookup_table)
  {
    static point_type *cell_dim=0;
    static real *overlap_store=0;
@@ -673,15 +666,9 @@ OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
   *    present in the expression for P_uv.
   *
   ****************************************************************************/
- void gen_COOP(details,cell,num_orbs,avg_prop_info,R_overlaps,orbital_ordering,
-               orbital_lookup_table)
-   detail_type *details;
-   cell_type *cell;
-   int num_orbs;
-   avg_prop_info_type *avg_prop_info;
-   hermetian_matrix_type R_overlaps;
-   K_orb_ptr_type *orbital_ordering;
-   int *orbital_lookup_table;
+ void gen_COOP(detail_type *details,cell_type *cell,int num_orbs,avg_prop_info_type *avg_prop_info,hermetian_matrix_type R_overlaps,
+               K_orb_ptr_type *orbital_ordering,
+               int *orbital_lookup_table)
  {
    int i,j;
    int tot_num_orbs,num_COOPS;
@@ -849,15 +836,8 @@ OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
   *   Everything here is done the same way as in gen_COOP
   *
   ****************************************************************************/
- void gen_avg_COOPs(details,cell,num_orbs,avg_prop_info,R_overlaps,orbital_ordering,
-                    orbital_lookup_table)
-   detail_type *details;
-   cell_type *cell;
-   int num_orbs;
-   avg_prop_info_type *avg_prop_info;
-   hermetian_matrix_type R_overlaps;
-   K_orb_ptr_type *orbital_ordering;
-   int *orbital_lookup_table;
+ void gen_avg_COOPs(detail_type *details,cell_type *cell,int num_orbs,avg_prop_info_type *avg_prop_info,hermetian_matrix_type R_overlaps,K_orb_ptr_type *orbital_ordering,
+                    int *orbital_lookup_table)
  {
    int i,j;
    int tot_num_orbs,num_COOPS;
@@ -979,9 +959,7 @@ OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
 *                                              *
 ***********************************************/
 
-void intercell_COOP_check(COOP)
-
-COOP_type *COOP;
+void intercell_COOP_check(COOP_type *COOP)
 {
   int temp;
 
@@ -1008,4 +986,3 @@ COOP_type *COOP;
     COOP->cell.z *= -1.0;
   }
 }
-
diff --git a/tightbind/DOS_stuff.c b/tightbind/DOS_stuff.c
@@ -73,12 +73,7 @@ OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
  *
  *
  ****************************************************************************/
-void gen_total_DOS(details,cell,num_orbs,avg_prop_info,orbital_ordering)
-  detail_type *details;
-  cell_type *cell;
-  int num_orbs;
-  avg_prop_info_type *avg_prop_info;
-  K_orb_ptr_type *orbital_ordering;
+void gen_total_DOS(detail_type *details,cell_type *cell,int num_orbs,avg_prop_info_type *avg_prop_info,K_orb_ptr_type *orbital_ordering)
 {
   int i,j;
   int tot_num_orbs;
@@ -217,10 +212,7 @@ void gen_total_DOS(details,cell,num_orbs,avg_prop_info,orbital_ordering)
  *  This is just the charge matrix element for 'which_AO.
  *
  ****************************************************************************/
-real orb_contribution(num_orbs,kpoint,MO,avg_prop_info,which_AO)
-  int num_orbs,kpoint,MO;
-  avg_prop_info_type *avg_prop_info;
-  int which_AO;
+real orb_contribution(int num_orbs,int kpoint,int MO,avg_prop_info_type *avg_prop_info,int which_AO)
 {
   real contrib;
 
@@ -247,10 +239,7 @@ real orb_contribution(num_orbs,kpoint,MO,avg_prop_info,which_AO)
  *  This is just the charge matrix element for 'which_FMO.
  *
  ****************************************************************************/
-real FMO_contribution(num_orbs,kpoint,MO,avg_prop_info,which_FMO)
-  int num_orbs,kpoint,MO;
-  avg_prop_info_type *avg_prop_info;
-  int which_FMO;
+real FMO_contribution(int num_orbs,int kpoint,int MO,avg_prop_info_type *avg_prop_info,int which_FMO)
 {
   real contrib;
 
@@ -279,11 +268,8 @@ real FMO_contribution(num_orbs,kpoint,MO,avg_prop_info,which_FMO)
  *   'which_atom to this MO.
  *
  ****************************************************************************/
-real atom_contribution(num_orbs,num_atoms,kpoint,MO,avg_prop_info,which_atom,
-                        orbital_lookup_table)
-  int num_orbs,num_atoms,kpoint,MO;
-  avg_prop_info_type *avg_prop_info;
-  int which_atom,*orbital_lookup_table;
+real atom_contribution(int num_orbs,int num_atoms,int kpoint,int MO,avg_prop_info_type *avg_prop_info,int which_atom,
+                        int *orbital_lookup_table)
 {
   int i,atom_begin,atom_end;
   float *chg_mat_ptr;
@@ -324,14 +310,9 @@ real atom_contribution(num_orbs,num_atoms,kpoint,MO,avg_prop_info,which_atom,
  * Action:  Generates all of the projected DOS curves.
  *
  ****************************************************************************/
-void gen_projected_DOS(details,cell,num_orbs,avg_prop_info,orbital_ordering,
-                       orbital_lookup_table)
-  detail_type *details;
-  cell_type *cell;
-  int num_orbs;
-  avg_prop_info_type *avg_prop_info;
-  K_orb_ptr_type *orbital_ordering;
-  int *orbital_lookup_table;
+void gen_projected_DOS(detail_type *details,cell_type *cell,int num_orbs,avg_prop_info_type *avg_prop_info,
+                       K_orb_ptr_type *orbital_ordering,
+                       int *orbital_lookup_table)
 {
   int i,j,k,l;
   int tot_num_orbs,num_states,begin,end;

diff --git a/tightbind/FMO_stuff.c b/tightbind/FMO_stuff.c
@@ -53,10 +53,7 @@ OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
 * Action: writes the header to the FMO output file.
 *
 ****************************************************************************/
-void init_FMO_file(details,num_orbs,num_electrons)
-  detail_type *details;
-  int num_orbs;
-  real num_electrons;
+void init_FMO_file(detail_type *details,int num_orbs,real num_electrons)
 {
   int i;
 
@@ -93,12 +90,7 @@ void init_FMO_file(details,num_orbs,num_electrons)
 *    'details.
 *
 ****************************************************************************/
-void build_FMO_overlap(details,num_orbs,num_atoms,overlap,orbital_lookup_table)
-  detail_type *details;
-  int num_orbs;
-  int num_atoms;
-  hermetian_matrix_type overlap;
-  int *orbital_lookup_table;
+void build_FMO_overlap(detail_type *details,int num_orbs,int num_atoms,hermetian_matrix_type overlap,int *orbital_lookup_table)
 {
   FMO_frag_type *FMO_frag;
   int i,j;
@@ -179,12 +171,7 @@ void build_FMO_overlap(details,num_orbs,num_atoms,overlap,orbital_lookup_table)
 *    'details.
 *
 ****************************************************************************/
-void build_FMO_hamil(details,num_orbs,num_atoms,hamil,orbital_lookup_table)
-  detail_type *details;
-  int num_orbs;
-  int num_atoms;
-  hermetian_matrix_type hamil;
-  int *orbital_lookup_table;
+void build_FMO_hamil(detail_type *details,int num_orbs,int num_atoms,hermetian_matrix_type hamil,int *orbital_lookup_table)
 {
   FMO_frag_type *FMO_frag;
   int i,j;
@@ -282,10 +269,7 @@ void build_FMO_hamil(details,num_orbs,num_atoms,hamil,orbital_lookup_table)
 *   returns (they will not).
 *
 ****************************************************************************/
-void diagonalize_FMO(details,work1,work2,work3,cmplx_hamil,cmplx_overlap,cmplx_work)
-  detail_type *details;
-  real *work1,*work2,*work3;
-  complex *cmplx_hamil,*cmplx_overlap,*cmplx_work;
+void diagonalize_FMO(detail_type *details,real *work1,real *work2,real *work3,complex *cmplx_hamil,complex *cmplx_overlap,complex *cmplx_work)
 {
   FMO_frag_type *FMO_frag;
   int i,j,k,itab,jtab,ktab;
@@ -526,8 +510,7 @@ INCREASE to the right)\n");
 *   orbitals from the AO to the FMO basis.
 *
 ****************************************************************************/
-void gen_FMO_tform_matrices(details)
-  detail_type *details;
+void gen_FMO_tform_matrices(detail_type *details)
 {
   FMO_frag_type *FMO_frag;
   real *matR, *matI;
@@ -636,12 +619,7 @@ fprintf(output_file,"\n\n\n");
 *    below.
 *
 ****************************************************************************/
-void tform_wavefuncs_to_FMO_basis(details,num_orbs,num_atoms,eigenset,orbital_lookup_table)
-  detail_type *details;
-  int num_orbs;
-  int num_atoms;
-  eigenset_type eigenset;
-  int *orbital_lookup_table;
+void tform_wavefuncs_to_FMO_basis(detail_type *details,int num_orbs,int num_atoms,eigenset_type eigenset,int *orbital_lookup_table)
 {
   FMO_frag_type *FMO_frag;
 
@@ -773,14 +751,8 @@ fprintf(output_file,"\n\n\n");
 *    The results are placed in 'cmplx_mat.
 *
 ****************************************************************************/
-void tform_matrix_to_FMO_basis(details,num_orbs,num_atoms,AO_matR,AO_matI,
-                               temp_matR,temp_matI,cmplx_mat,orbital_lookup_table)
-  detail_type *details;
-  int num_orbs;
-  int num_atoms;
-  real *AO_matR,*AO_matI,*temp_matR,*temp_matI;
-  complex_matrix_type cmplx_mat;
-  int *orbital_lookup_table;
+void tform_matrix_to_FMO_basis(detail_type *details,int num_orbs,int num_atoms,real *AO_matR,real *AO_matI,
+                               real *temp_matR,real *temp_matI,complex_matrix_type cmplx_mat,int *orbital_lookup_table)
 {
   FMO_frag_type *FMO_frag;
 
@@ -968,15 +940,8 @@ fprintf(output_file,"\n\n\n");
 *   The results of the multiplication are put into the matrix 'results
 *
 ****************************************************************************/
-void tform_hermetian_matrix_to_FMO_basis(details,num_orbs,num_atoms,herm_mat,
-                               temp_matR,temp_matI,results,orbital_lookup_table)
-  detail_type *details;
-  int num_orbs;
-  int num_atoms;
-  hermetian_matrix_type herm_mat;
-  real *temp_matR,*temp_matI;
-  hermetian_matrix_type results;
-  int *orbital_lookup_table;
+void tform_hermetian_matrix_to_FMO_basis(detail_type *details,int num_orbs,int num_atoms,hermetian_matrix_type herm_mat,
+                               real *temp_matR,real *temp_matI,hermetian_matrix_type results,int *orbital_lookup_table)
 {
   FMO_frag_type *FMO_frag;
 

diff --git a/tightbind/K_hamil.c b/tightbind/K_hamil.c
@@ -60,11 +60,8 @@ OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
  *
  *
  ****************************************************************************/
-void build_k_hamil_FAT(cell,hamilR,hamilK,overlapK,num_orbs)
-  cell_type *cell;
-  hermetian_matrix_type hamilR,hamilK;
-  hermetian_matrix_type overlapK;
-  int num_orbs;
+void build_k_hamil_FAT(cell_type *cell,hermetian_matrix_type hamilR,hermetian_matrix_type hamilK,
+                        hermetian_matrix_type overlapK,int num_orbs)
 {
   int i,j;
   int itab,jtab;
@@ -114,11 +111,8 @@ printmat(hamilK.mat,num_orbs,num_orbs,output_file,1e-6,details->line_width);
  *    insignificant in terms of the diagonalization and building S(K).
  *
  ****************************************************************************/
-void build_k_hamil_THIN(cell,hamilR,hamilK,overlapK,num_orbs)
-  cell_type *cell;
-  hermetian_matrix_type hamilR,hamilK;
-  hermetian_matrix_type overlapK;
-  int num_orbs;
+void build_k_hamil_THIN(cell_type *cell,hermetian_matrix_type hamilR,hermetian_matrix_type hamilK,
+                        hermetian_matrix_type overlapK,int num_orbs)
 {
   int i,j;
   int itab,jtab;

diff --git a/tightbind/K_overlap_mat.c b/tightbind/K_overlap_mat.c
@@ -66,11 +66,7 @@ OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
 *   k-point.
 *
 ****************************************************************************/
-void build_k_overlap_FAT(cell,kpoint,overlapR,overlapK,num_orbs)
-  cell_type *cell;
-  k_point_type *kpoint;
-  hermetian_matrix_type overlapR,overlapK;
-  int num_orbs;
+void build_k_overlap_FAT(cell_type *cell,k_point_type *kpoint,hermetian_matrix_type overlapR,hermetian_matrix_type overlapK,int num_orbs)
 {
   int i,j,k,l,m;
   int itab,jtab,ktab;
@@ -207,12 +203,8 @@ printmat(overlapK.mat,num_orbs,num_orbs,output_file,1e-6,details->line_width);
 * Action: This generates the overlap matrix for a given k-point
 *
 ****************************************************************************/
-void build_k_overlap_THIN(cell,details,kpoint,overlapR,overlapK,num_orbs)
-  cell_type *cell;
-  detail_type *details;
-  k_point_type *kpoint;
-  hermetian_matrix_type overlapR,overlapK;
-  int num_orbs;
+void build_k_overlap_THIN(cell_type *cell,detail_type *details,k_point_type *kpoint,
+                          hermetian_matrix_type overlapR,hermetian_matrix_type overlapK,int num_orbs)
 {
   int i,j,k,l,m;
   int itab,jtab,ktab;
@@ -410,13 +402,9 @@ printmat(overlapK.mat,num_orbs,num_orbs,output_file,1e-6,details->line_width);
  *   memory
  *
  ****************************************************************************/
-void build_all_K_overlaps(cell,details,overlapR,overlapK,num_orbs,
-                          tot_overlaps,orbital_lookup_table)
-  cell_type *cell;
-  detail_type *details;
-  hermetian_matrix_type overlapR,overlapK;
-  int num_orbs,tot_overlaps;
-  int *orbital_lookup_table;
+void build_all_K_overlaps(cell_type *cell,detail_type *details,
+                          hermetian_matrix_type overlapR,hermetian_matrix_type overlapK,int num_orbs,
+                          int tot_overlaps,int *orbital_lookup_table)
 {
   k_point_type *kpoint;
   int which_k;

diff --git a/tightbind/R_hamil.c b/tightbind/R_hamil.c
@@ -65,12 +65,7 @@ OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
  *     K space hamiltonian (the important one) is built.
  *
  ****************************************************************************/
-void R_space_Hamiltonian(cell,details,overlap,hamil,num_orbs,orbital_lookup_table)
-  cell_type *cell;
-  detail_type *details;
-  hermetian_matrix_type overlap,hamil;
-  int num_orbs;
-  int *orbital_lookup_table;
+void R_space_Hamiltonian(cell_type *cell,detail_type *details,hermetian_matrix_type overlap,hermetian_matrix_type hamil,int num_orbs,int *orbital_lookup_table)
 {
   int i,j;
   int orb_tab1;

diff --git a/tightbind/R_overlap_mat.c b/tightbind/R_overlap_mat.c
@@ -893,14 +893,9 @@ printmat(overlap,num_orbs,num_orbs,status_file,1e-6,0,details->line_width);
  *
  *
  *****************************************************************************/
-void R_space_overlap_matrix(cell,details,overlap,num_orbs,tot_overlaps,
-                            orbital_lookup_table,which_one)
-  cell_type *cell;
-  detail_type *details;
-  hermetian_matrix_type overlap;
-  int num_orbs,tot_overlaps;
-  int *orbital_lookup_table;
-  int which_one;
+void R_space_overlap_matrix(cell_type *cell,detail_type *details,hermetian_matrix_type overlap,
+    int num_orbs,int tot_overlaps,
+                            int *orbital_lookup_table,int which_one)
 {
   char err_string[240];
   int overlaps_so_far;

diff --git a/tightbind/Zmat.c b/tightbind/Zmat.c
@@ -45,9 +45,7 @@ OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
 
 
 /* helper function to find a particular numbered atom in an array of atoms */
-int find_atom(atoms,num_atoms,which)
-  atom_type *atoms;
-  int num_atoms,which;
+int find_atom(atom_type *atoms,int num_atoms,int which)
 {
   static char err_string[120];
   int i;
@@ -60,6 +58,7 @@ int find_atom(atoms,num_atoms,which)
   sprintf(err_string,"Can't find atom %d (of %d) in find_atom.\n",
           which,num_atoms);
   FATAL_BUG(err_string);
+  return(0);
 }