Libescdf¶
Libescdf is a library containing tools for reading and writing massive data structures related to electronic structure calculations, following the standards defined in the Electronic Structure Common Data Format
Purpose of Module¶
Libescdf is a library created to exchange electronic-structure-related data in a platform-independent and efficient manner. It is based on the Electronic Structure Common Data Format Specifications, as well as HDF5.
Software Technical Information¶
- License
- L-GPL v3
- Language
- C with Fortran 2003 bindings.
- Documentation Tool
- Doxygen
- Application Documentation
- ESL wiki
Installation¶
A release can be download from this link Current installation and testing are done with gcc compiler. HDF5 is required for installation and testing.
Here are the commands for installation:
$ tar xfvz libescdf-0.1.0.tar.gz
$ ./configure
$ make
Note
We provide also the possibility to build modules with Autotools. Here are some useful documents.
Testing¶
Libescdf contains several unit tests that can be used to check the compilation and to perform regression testing. Check (version>=0.9.4) is required for installation and testing. These tests can be executed by doing:
$ make check
Source Code¶
The source code is available from the E-CAM Gitlab under the escdf project. The Libescdf directory can be found here.