quantum-espresso/NEB/examples
Paolo Giannozzi 814c3d5615 Cleanup of parallel modules:
- mp_world and world_comm should be used only in MPI initialization,
  not directly in codes - replaced by mp_images and intra_image_comm
  (except in a few cases whose usage is unclear to me)
- mp_global should be used only to provide initialization routines
  mp_startup, mp_global_end
- specific mp_* modules should be used for parallelization level on *
  (* = images, pools, bands, orhtoh, ...)
Nothing actually changes (I hope) but things will look cleaner if the module
for the required parallelization level is USEd instead of a generic one that
does too meny things at the same time. The final goal of this operation is to
better disentangle the various parallelization levels and to have a better
organized, more granular MPI initialization that does not introduces artificial
and meaningless dependencies. Not done for: PHonon, CPV, TDDFPT, GWW, EPW
2019-01-31 15:51:00 +01:00
..
ESM_example Updated printout routine and examples for ESM, by Minoru 2017-08-26 13:55:14 +00:00
example01 update of NEB examples 2017-02-08 15:05:46 +00:00
check-neb.x.j Default temporary directory for test script made uniform 2015-12-08 18:38:28 +00:00
clean_all Cleanup of parallel modules: 2019-01-31 15:51:00 +01:00
neb0.in Cleanup of parallel modules: 2019-01-31 15:51:00 +01:00
neb0.ref Incorrect reference results 2013-01-16 09:21:53 +00:00
neb1.in Deprecated syntax of CELL_PARAMETER card updated 2013-01-16 10:28:06 +00:00
neb1.ref test was not complete 2013-01-09 20:56:51 +00:00
neb2.in Deprecated syntax of CELL_PARAMETER card updated 2013-01-16 10:28:06 +00:00
neb2.ref Should have added *.ref. not *.out files 2013-01-08 22:12:23 +00:00