Report MPI changes

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10506 c92efa57-630b-4861-b058-cf58834340f0
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giannozz 2013-10-03 14:07:13 +00:00
parent 14383b42b9
commit 6bce131a34
1 changed files with 6 additions and 0 deletions

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@ -18,6 +18,12 @@ New in svn version
Incompatible changes in svn version: Incompatible changes in svn version:
* Initialization of MPI modified in order to simplify usage of QE routines
from external codes. It is now possible to run an instance of QE into a
mpi communicator passed by the external routine. Changes affect a few MPI
initialization routines (e.g. mp_start) and some MPI related modules;
the communicator must be explicitly specified when calling mp_* interfaces
to low-level MPI libraries.
* Input variable "london" should be replaced by " vdw_corr='Grimme-D2' " * Input variable "london" should be replaced by " vdw_corr='Grimme-D2' "
* Routine "electrons" doesn't deal any longer with non-scf cases; * Routine "electrons" doesn't deal any longer with non-scf cases;
Use routine "non_scf" instead. Use routine "non_scf" instead.