Fedora 24 Update: elpa-2015.11.001-1.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        : elpa
Product     : Fedora 24
Version     : 2015.11.001
Release     : 1.fc24
URL         : http://elpa.mpcdf.mpg.de/software
Summary     : High-performance library for parallel solution of eigenvalue problems
Description :
ELPA is a Fortran-based high-performance computational library for the
(massively) parallel solution of symmetric or Hermitian, standard or generalized
eigenvalue problems.

This is the kind of eigenvalue problem which is frequently encountered in
Electronic Structure Theory (solution of Schrödinger's Equation or variants
thereof), but also in many other fields. Typically, the solution effort scales
as O(size^3), where "size" is a measure of the system size, for example the
dimension of the associated matrices or the number of required
eigenvalue/eigenvector pairs (less than or equal to the matrix dimension). Thus,
an algebraically exact solution of the eigenproblem may quickly become the
bottleneck in a practical application.

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 elpa' at the command line.
For more information, refer to "Managing Software with yum",
available at https://docs.fedoraproject.org/yum/.

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