~jose-soler/siesta/newdynamics-format0.92

Viewing all changes in revision 462.

Committer: Alberto Garcia
Author(s): Jose M. Soler
Date: 2014-05-29 12:38:01 UTC
mfrom: (459.2.2 fsiesta)
Revision ID: albertog@icmab.es-20140529123801-hl042zghma175vat

Improved MPI version of siesta as a subroutine (J.M.Soler)

* The MPI version of fsiesta now creates a directory for each siesta
  process, and writes in it all output and continuation files

* New example Util/SiestaSubroutine/ProtoNEB/

added:
  Util/SiestaSubroutine/ProtoNEB/
  Util/SiestaSubroutine/ProtoNEB/NH3-point01.fdf
  Util/SiestaSubroutine/ProtoNEB/NH3-point02.fdf
  Util/SiestaSubroutine/ProtoNEB/NH3-point03.fdf
  Util/SiestaSubroutine/ProtoNEB/NH3.fdf
  Util/SiestaSubroutine/ProtoNEB/Src/
  Util/SiestaSubroutine/ProtoNEB/Src/Makefile
  Util/SiestaSubroutine/ProtoNEB/Src/protoNEB.F90
modified:
  Src/fsiesta_mpi.F90
  Util/SiestaSubroutine/README