Get the code¶
BigDFT is available on Launchpad, from where it can be downloaded as a tar file or via bzr using the command
bzr branch lp:bigdft.
Install the code¶
Install via Docker¶
BigDFT may be installed via Docker, see instructions here.
insert some basic information about Docker
Install from sources¶
- The BigDFT suite
- Usage of the
- Installing from a
- Using a configuration file (
- Building the executables
- Linking external software with BigDFT packages
- The BigDFT Installer class
Run the code¶
We recommend running BigDFT using a jupyter notebook. Various features have been implemented in PyBigDFT for the straightforward pre- and post-processing of calculations, as demonstrated in these tutorials: pybigdft_tutorials, with further examples available on github.
add some brief text and a link to explain what a jupyter-notebook is; tips for using notebooks remotely (link to script); how to run without using a notebook, i.e. the key ingredients of a calculation and where to find variables - should be at a very basic level.
Frequently encountered problems¶
add here any problems (and how to avoid them) which occur on a frequent basis