mirror of https://gitlab.com/QEF/q-e.git
9af0317f8d
after the proliferarion of modules and libraries, I have collected into a single variable BASEMOD_FLAGS, defined in make.inc, the list of directories for modules, to be included by all codes. IMPORTANT NOTICE: re-run "configure", the new Makefiles work in conjunction with the new make.inc |
||
---|---|---|
.. | ||
examples | ||
include | ||
src | ||
tests | ||
Makefile | ||
README |
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>