Merge Requests · QEF - Quantum Espresso Foundation / q-e · GitLab

WIP: Configure mkl

!804 · opened Feb 26, 2020 by giannozz
- 0
updated Feb 28, 2020
new FFTXlib based on OpenMP

!784 · opened Feb 13, 2020 by Giacomo Rossi
- 13
updated Feb 26, 2020
Parallelized elphsum routine

!782 · opened Feb 06, 2020 by Michael Hutcheon
- 4
updated Feb 08, 2020
WIP: improve phonon performance for very large inputs

!732 · opened Jan 12, 2020 by Pietro
- 0
updated Jan 19, 2020
WIP: making magnetic constraint lambda type specific

!715 · opened Dec 13, 2019 by Pietro Delugas
- 0
updated Dec 13, 2019
Fixes to the preconditioner g_psi for the Davidson

!714 · opened Dec 12, 2019 by John Vinson
- 2
updated Jan 17, 2020
WIP: Max xml step in input

!520 · opened Jul 10, 2019 by Pietro Delugas
- 2
updated Jul 16, 2019
WIP: CMake support

!452 · opened May 25, 2019 by Federico Ficarelli
- 2
- 29
updated Feb 26, 2020
Reduce the expansion of user provided k-point list from lattice symmetry to crystal symmetry

!292 · opened Jan 30, 2019 by Yunzhe(Phil) Wang
- 8
updated Mar 28, 2019
Write frequencies and IR intensities and atomic vibrations in Maestro friendly way

!110 · opened Jul 05, 2018 by af
- 0
updated Jul 05, 2018
Add procs_io, list of processors belonging to different compute nodes

!28 · opened Mar 13, 2018 by af master
- 6
updated Mar 15, 2018