Fedora 24 Update: openmx-3.7.10-4.fc24

updates at fedoraproject.org updates at fedoraproject.org
Sat May 7 13:36:14 UTC 2016

Fedora Update Notification
2016-05-07 11:36:53.856856

Name        : openmx
Product     : Fedora 24
Version     : 3.7.10
Release     : 4.fc24
URL         : http://www.openmx-square.org/
Summary     : Open source package for Material eXplorer
Description :

OpenMX (Open source package for Material eXplorer) is a software package for
nano-scale material simulations based on density functional theories (DFT),
norm-conserving pseudopotentials, and pseudo-atomic localized basis functions.

There is currently no serial version built.

Update Information:

Selected changes since 2.6:  * Improvement of the Path integral code and use of
PIGLET thermostat * Gradients for MP2 in the unrestricted case * Current output
for EMD * constant E/D simulations * RMA based DBCSR * G0W0 and eigenvalue self-
consistent GW * Basic k-point functionality for GGA DFT * Faster TRS4 for semi-
empirical runs. * Interface to ELPA2015 ELPA * Filtered Basis method * Coupling
with the quantum transport code OMEN * Implicit Poisson solver, with dielectric,
and different boundary conditions * Rho mixing for LS SCF enabled * Speedup for
LRIGPW method * Support for the ASE Python toolkit. * Polarized atomic orbitals
* REPEAT variant of the RESP atomic charge fitting method * Streamlined error
handling * Various bug fixes

  [ 1 ] Bug #1220730 - Please package CP2K data directory
  [ 2 ] Bug #1132973 - please package cp2k_shell
  [ 3 ] Bug #1217862 - cp2k-3.0 is available
  [ 4 ] Bug #1307447 - elpa: FTBFS in rawhide

This update can be installed with the "yum" update program. Use
su -c 'yum update openmx' at the command line.
For more information, refer to "Managing Software with yum",
available at https://docs.fedoraproject.org/yum/.

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