horton.context – The context in which HORTON is used¶
This module controls global parameters that are purely technical, e.g. the location of data files. It is certainly not meant to keep track of input parameters for a computation.
This module contains a context object, an instance of the
class. For now, its functionality is rather limited. It tries to figure
out the location of the data directory. If it is not specified in the
HORTONDATA, it is assumed that the data is located
in a directory called
data. If the data directory does not exist, an
error is raised.
Finds out where the data directory is located etc.
The data directory contains data files with standard basis sets and pseudo potentials.
Return the full path to the given filename in the data directory.
Return the list with directories containing header files (.h and .pxd)
Return all files in the data directory that match the given pattern.