58 gchar * lia[5] = {
"a",
"b",
"c",
"d",
"e"};
68 int numth = omp_get_max_threads ();
69 gboolean doatoms = FALSE;
90 #pragma omp parallel for num_threads(numth) private(j,v,v_dummy,this_line,saved_line,this_word) shared(i,k,lia,coord_line,this_reader,active_project,res)
93 if (
res == 2)
goto enda;
95 saved_line = g_strdup_printf (
"%s",
this_line);
114 v = v + v_dummy * 0.1;
118 this_word = strtok_r (NULL,
" ", & saved_line);
125 this_word = strtok_r (NULL,
" ", & saved_line);
133 this_word = strtok_r (NULL,
" ", & saved_line);
141 this_word = strtok_r (NULL,
" ", & saved_line);
165 #pragma omp parallel for num_threads(numth) private(i,j,k,v,v_dummy,this_line,saved_line,this_word) shared(lia,coord_line,this_reader,active_project,res)
168 if (
res == 2)
goto ends;
173 saved_line = g_strdup_printf (
"%s",
this_line);
192 v = v + v_dummy * 0.1;
195 this_word = strtok_r (NULL,
" ", & saved_line);
202 this_word = strtok_r (NULL,
" ", & saved_line);
210 this_word = strtok_r (NULL,
" ", & saved_line);
218 this_word = strtok_r (NULL,
" ", & saved_line);
239 if (
res == 2)
return 2;
328 add_reader_info (
"Wrong file format - cannot find the number of atoms !", 0);
351 add_reader_info (
"Wrong file format - cannot find the number of atoms !", 0);
352 add_reader_info (
"Wrong file format - the first line is corrupted !", 0);
Binding to the Fortran90 subroutines.
double get_z_from_periodic_table(gchar *lab)
get Z from atom label
Callback declarations for main window.
void allocatoms(project *this_proj)
allocate project data
double * allocdouble(int val)
allocate a double * pointer
int * allocint(int val)
allocate an int * pointer
Global variable declarations Global convenience function declarations Global data structure defin...
Variable declarations related to the OpenGL window Function declarations related to the OpenGL wind...
Messaging function declarations.
Function declarations for reading atomes project file Function declarations for saving atomes proje...
int c3d_get_atom_coordinates()
get the atomic coordinates from the C3D file
int open_c3d_file(int linec)
open C3D file
void check_for_species(double v, int ato)
Fill the species for each atom and the associated data.
void reader_info(gchar *type, gchar *sinf, int val)
display reader information
void add_reader_info(gchar *info, int mid)
append information message to the reader information
void format_error(int stp, int ato, gchar *mot, int line)
Message to display an error message.
int set_v_dummy(gchar *this_word)
check if dummy is used for unknown species, if not then ask what to do
Functions declaration to read atomic coordinates.