quantum-espresso/COUPLE
giannozz 7c01062ba0 Final (?) set of changes to the build system, especially for Windows (Axel)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10590 c92efa57-630b-4861-b058-cf58834340f0
2013-11-07 21:06:06 +00:00
..
examples Added code and examples by Axel for calling QE as a subroutine 2013-10-22 17:03:07 +00:00
include Added code and examples by Axel for calling QE as a subroutine 2013-10-22 17:03:07 +00:00
src Final (?) set of changes to the build system, especially for Windows (Axel) 2013-11-07 21:06:06 +00:00
tests Added code and examples by Axel for calling QE as a subroutine 2013-10-22 17:03:07 +00:00
Makefile Final (?) set of changes to the build system, especially for Windows (Axel) 2013-11-07 21:06:06 +00:00
README Added code and examples by Axel for calling QE as a subroutine 2013-10-22 17:03:07 +00:00

README

Library Interface to Quantum ESPRESSO

This package allows calling programs of the Quantum Espresso package as
subroutines. At the moment this feature is restricted to do something
similar to calling an executable with the corresponding flags through
the system() command. This is useful for building hybrid parallel programs
where multiple executables, or multiple copies of the same executable
are sharing a single MPI communicator and need to exchange information
during the run.

Additional APIs will be added as the need arises.

Authors:
Axel Kohlmeyer <akohlmey@gmail.com>