[Q-e-developers] Neb restructuring

Paolo Giannozzi giannozz at democritos.it
Fri Aug 27 09:12:43 CEST 2010


Please note that in the next days the structure of the QE
distribution will undergo some changes. The NEB-related
code (including SMD) will be moved from Modules/ into a
new NEB/ directory. There will be a separable executable
for NEB in directory NEB/, calling PW and CP. Nothing will
change for non-NEB calculations. The goal of this operation
is to make the code, in particular the "image" parallelization
and the related I/O, easier to maintain. It will take some
time before the situation stabilizes, though.

Paolo & Layla
---
Paolo Giannozzi, Democritos and University of Udine, Italy


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