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Easy Fortran I/O library generator
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====================================================================== EZFIO ====================================================================== Author: A. Scemama, LCPQ-IRSAMC, CNRS-Universite Paul Sabatier scemama@irsamc.ups-tlse.fr == About EZFIO == EZFIO is the Easy Fortran I/O library. With EZFIO, your data is organized in a file system inside a main directory. This main directory contains subdirectories, which contain files. Each file corresponds to a data. For atomic data the file is a plain text file, and for array data the file is a gzipped text file. == Building a library == Your EZFIO library is built according to the definitions given in the files of the 'config' directory. A configuration file can be, for example: --- system title character*(128) num_elec integer = system_num_alpha + system_num_beta num_alpha integer num_beta integer geometry num_atom integer nuc_energy double precision label character*(32) (geometry_num_atom) atomic_number integer (geometry_num_atom) charge double precision (geometry_num_atom) coord double precision (3,geometry_num_atom) --- A subdirectory is defined by its name at the beginning of a new line. The data contained in this subdirectory is defined by the triplet (name,type,dimension), leaving at least one white space at the beginning of the line. If the dimension of an array is a data defined in the file, its name can be used as <name of the subdirectory>_<name of the data>. For example, the dimension '(geometry_num_atom)' uses the data 'num_atom' of subdirectory 'geometry'. A data can also be the result of a simple operation. In that case, the simple operation is written after an '=' symbol (as for 'num_elec'). In that case, the data is read_only. Once your configuration file is ready, run 'make' and your library will be built. == Using the library == In the following, we will call 'EZFIO file' the main directory containing the EZFIO data. Only one EZFIO file can be manipulated at a time. To select a file, use: character*(64) :: filename call ezfio_set_file(filename) To get the name of the current used EZFIO file, use character*(64) :: filename call ezfio_get_filename(filename) For each data, 3 subroutines are created. <dir> is the name of the subdirectory which contains the data and <data> is the name of the data. * subroutine ezfio_has_<dir>_<data> (result) sets result to .True. if the data exists in the EZFIO file, .False. otherwise. * subroutine ezfio_set_<dir>_<data> (source) writes the source data to the EZFIO file. * subroutine ezfio_get_<dir>_<data> (destination) reads the data from the EZFIO file to the destination. For safety, a read-only attribute can be set to the file by call ezfio_set_read_only(.True.) or inquired by logical :: is_read_only call ezfio_is_read_only(is_read_only)