GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis  111
Public Member Functions | Public Attributes | List of all members
data_file_gbl::data_header_obj Module Reference

This structure contains the data defining the header for one data set stored on the data file. More...

Public Member Functions

procedure read => read_header_obj
 Reads-in the header data given the starting position of the header in the file and the unit number. More...
 
procedure write => write_header_obj
 Writes the header data into the unit number at a position given by the member variable header_pos. More...
 
procedure print => print_header_obj
 Prints the header data into stdout. More...
 

Public Attributes

character(line_len) name = no_header
 Description (name) for the stored data. More...
 
integer first_record = -1
 Positions, within the file storing the data, of the first and the last record for this data set. The positions are given in bytes. More...
 
integer last_record = -1
 
integer next_data = -1
 Position, within the file storing the data, of the header for the header for the next data set stored on the file. More...
 
integer header_pos = -1
 Position, within the file storing the data, of the first line of the header information. More...
 

Detailed Description

This structure contains the data defining the header for one data set stored on the data file.

Warning
Only the master process actually performs the read/write operations. In case of reading the master reads the data and then broadcasts to every process. However, in case of writing every other routine that is accessing the same file as that which was written into by this object must take this into account: the current position in the file will be different for other process than the master (the other ones will be typically "behind").

Member Function/Subroutine Documentation

◆ print()

procedure data_file_gbl::data_header_obj::print

Prints the header data into stdout.

◆ read()

procedure data_file_gbl::data_header_obj::read

Reads-in the header data given the starting position of the header in the file and the unit number.

◆ write()

procedure data_file_gbl::data_header_obj::write

Writes the header data into the unit number at a position given by the member variable header_pos.

Member Data Documentation

◆ first_record

integer data_file_gbl::data_header_obj::first_record = -1

Positions, within the file storing the data, of the first and the last record for this data set. The positions are given in bytes.

◆ header_pos

integer data_file_gbl::data_header_obj::header_pos = -1

Position, within the file storing the data, of the first line of the header information.

◆ last_record

integer data_file_gbl::data_header_obj::last_record = -1

◆ name

character(line_len) data_file_gbl::data_header_obj::name = no_header

Description (name) for the stored data.

◆ next_data

integer data_file_gbl::data_header_obj::next_data = -1

Position, within the file storing the data, of the header for the header for the next data set stored on the file.


The documentation for this module was generated from the following file: