quantum-espresso/NEB
Paolo Giannozzi cebb7c1765 Initialization of "ortho" (or "diag") group taken out from mp_startup routine. The reasons for this are
- to avoid unneeded dependencies: currently each and every code that initializes mpi depends upon LAXlib,
  including those that never diagonalize a matrix (e.g., ld1.x). This is completely ridiculous.
- to be free to choose the parallelization of linear algebra after data is read and metabolized.
  It used to be done like that some time ago, by the way.
IMPORTANT NOTICE: all codes that use parallelization of linear algebra MUST explicitly call mp_start_diag.
Currently this is done by: cp.x, pw.x, neb.x, ph.x, projwfc.x. All other codes cannot currently use linear
algebra parallelization (linear algebra will run on 1 processor).
2019-02-07 21:06:21 +01:00
..
Doc Added compiled documentation files in *.pdf. *txt, *html format. 2018-06-22 17:41:44 +02:00
examples Cleanup of parallel modules: 2019-01-31 15:51:00 +01:00
src Initialization of "ortho" (or "diag") group taken out from mp_startup routine. The reasons for this are 2019-02-07 21:06:21 +01:00
tools NEB has new dir structure. Doc is not complete. 2011-08-12 08:29:45 +00:00
Makefile make.sys => make.inc. All other codes using make.sys should modify their build 2016-06-25 07:26:50 +00:00