stable
FEDORA-2017-5bb9aa379b created by rathann 5 years ago for Fedora 26

Notable changes since 3.0:

  • Maximum Overlap Method (MOM)
  • Modified Atomic Orbitals (MAO) Analysis
  • Transport with Omen: improvements
  • Remote Memory Access (RMA) for future architectures
  • Various performance improvements and bug fixes
  • GTH-PBE pseudopotentials for the Lanthanide elements
  • Polarized Atomic Orbitals from Machine Learning (PAO-ML)
  • Cubic-scaling RPA
  • Fast method for periodic ERI reducing overhead of image charge correction in QM/MM and used in cubic-scaling RPA
  • Improved linear scaling (LS) DFT MD with curvy steps
  • Support for Hybrid density functionals in TDDFT

How to install

sudo dnf upgrade --refresh --advisory=FEDORA-2017-5bb9aa379b

This update has been submitted for testing by rathann.

5 years ago

This update has been pushed to testing.

5 years ago

This update has reached 3 days in testing and can be pushed to stable now if the maintainer wishes

5 years ago

This update has been submitted for stable by rathann.

5 years ago

This update has been pushed to stable.

5 years ago

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Metadata
Type
enhancement
Karma
0
Signed
Content Type
RPM
Test Gating
Settings
Unstable by Karma
-2
Stable by Karma
2
Stable by Time
disabled
Dates
submitted
5 years ago
in testing
5 years ago
in stable
5 years ago
BZ#1326661 cp2k-3.0 testsuite hangs in tests/QS/regtest-ri-rpa
0
0
BZ#1382181 cp2k-4.1 is available
0
0

Automated Test Results