A suite for electronic-structure calculations and materials modeling

Edit Package quantum-espresso

Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.

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Source Files
Filename Size Changed
_multibuild 0000000175 175 Bytes
backports-6.4.1.git-diff 0000023842 23.3 KB
q-e-qe-6.4.1.tar.bz2 0077778235 74.2 MB
quantum-espresso.changes 0000004788 4.68 KB
quantum-espresso.spec 0000004424 4.32 KB
Revision 14 (latest revision is 21)
Dirk Stoecker's avatar Dirk Stoecker (dstoecker) accepted request 768289 from Atri Bhattacharya's avatar Atri Bhattacharya (badshah400) (revision 14)
- Remove duplicated definitions.
- Remove bogus undefines of suffix and mpi_flavor for "serial"
  flavour. The former causes builds to fail for openSUSE >= 1550
  using rpm >= 4.15.
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