diff options
Diffstat (limited to 'science/gdis/files/patch-gui_siesta.c')
-rw-r--r-- | science/gdis/files/patch-gui_siesta.c | 113 |
1 files changed, 0 insertions, 113 deletions
diff --git a/science/gdis/files/patch-gui_siesta.c b/science/gdis/files/patch-gui_siesta.c deleted file mode 100644 index 39450b620bf8..000000000000 --- a/science/gdis/files/patch-gui_siesta.c +++ /dev/null @@ -1,113 +0,0 @@ ---- gui_siesta.c.orig Mon Oct 16 10:59:37 2006 -+++ gui_siesta.c Thu Nov 2 00:30:56 2006 -@@ -58,10 +58,10 @@ - /*************************/ - void gui_siesta_dialog(void) - { -- siestafileWRITE = FALSE; - GtkWidget *window; - gpointer dialog; - struct model_pak *model; -+ siestafileWRITE = FALSE; - - model = sysenv.active_model; - -@@ -797,6 +797,8 @@ - struct model_pak * model; - struct core_pak *core_i; - struct core_pak *core_j; -+GtkWidget *hbox, *vbox, *vbox2, *window; -+GtkWidget *dialog, *frame; - - - model = sysenv.active_model; -@@ -826,8 +828,6 @@ - - num_lines = 3*2*num_atoms*num_atoms; - -- GtkWidget *hbox, *vbox, *vbox2, *window; -- GtkWidget *dialog, *frame; - /* Create the widgets */ - - /* request a dialog */ -@@ -844,6 +844,10 @@ - FILE *fp, *matout; - - gchar * modelFCname, *modelFCnameCSV; -+ gdouble correction; -+ gint temp_int; -+ gdouble freq_i, freq_ii; -+ gint sizeofeig; - - modelFCname = g_strdup_printf("%s/%s.FC", sysenv.cwd, model->basename); - modelFCnameCSV = g_strdup_printf("%s.csv", modelFCname); -@@ -1102,7 +1106,6 @@ - // enddo - // enddo - -- gdouble correction; - for (i=0; i<num_atoms; i++) - { - for (j=0; j<num_atoms; j++) -@@ -1219,13 +1222,11 @@ - model->siesta.sorted_eig_values[i] = i; - } - -- gint temp_int; -- gdouble freq_i, freq_ii; - - /* - gint sizeofeig = model->siesta.eigen_values->dim; - */ -- gint sizeofeig = mesch_dim_get(model->siesta.eigen_values); -+ sizeofeig = mesch_dim_get(model->siesta.eigen_values); - - - for (j=sizeofeig-1; j>1; j--) -@@ -1350,10 +1351,10 @@ - { - //evil active model call - evil evil evil - struct model_pak *model; -- model = sysenv.active_model; -- - gchar *buff; - -+ model = sysenv.active_model; -+ - buff = g_strdup(gtk_entry_get_text(GTK_ENTRY(GTK_COMBO(data)->entry))); - if (g_ascii_strncasecmp("Verlet", buff, 6) == 0) - model->siesta.md_type_of_run = VERLET_MDRUN; -@@ -1747,6 +1748,9 @@ - - for (i=0; i<total_files; i++) - { -+ //grab current grid_config_pak -+ struct grid_config_pak * grid_pak; -+ - //set the range for md_fc_first, and md_fc_last - model->siesta.md_fc_first = i* model->siesta.atoms_per_job + 1; - model->siesta.md_fc_last = i * model->siesta.atoms_per_job + model->siesta.atoms_per_job; -@@ -1763,9 +1767,6 @@ - // call the fdf save bit.... - file_save_as(filename, model); - -- //grab current grid_config_pak -- struct grid_config_pak * grid_pak; -- - //get job directory - siesta_make_runscript(model->basename, sysenv.cwd, grid_pak); - -@@ -1851,12 +1852,11 @@ - int i, jobID; - int total_files; - gchar * filename, * orig_basename, *queuepath, *jobID_string; -+ struct grid_config_pak * grid_pak; - - total_files = model->num_atoms / model->siesta.atoms_per_job +1; - - orig_basename = g_strdup(model->basename); -- -- struct grid_config_pak * grid_pak; - - //default jobstorage dir?? - //"$homedir/.gdis_jobs/ ? |