aces3 binary package in Ubuntu Xenial powerpc

 ACESIII is an electronic structure calculation program with a focus on
 correlated methods. It is the parallel successor to ACESII, employing the
 Super Instruction Assembly Language (SIAL) as parallelization framework.
 Features include:
 .
 Energies, analytic gradients and analytic hessians for the following methods:
  * Restricted/unrestricted spin or restricted open-shell Hartree-Fock (HF)
  * Second-order Moeller-Plesset pertubation theory (MP2)
 .
 Energies and analytic gradients for the following methods:
  * Coupled cluster singles and doubles (CCSD)
 .
 Additionally, it can compute energies for the following methods:
  * Coupled cluster singles and doubles with pertubative triples (CCSD(T))
  * Quadratic configuration-interaction singles and doubles (QCISD)
 .
 Excited states can be calculated by the following methods:
  * Qadratic configuration interaction singles and doubles
  * Coupled cluster equation-of-motion (EOM-CC)
 .
 It also includes an internal coordinate geometry optimizer. If analytic
 gradients are not available, numerical gradients via finite differences are
 used.

Publishing history

Date Status Target Pocket Component Section Priority Phased updates Version
  2016-02-15 17:09:01 UTC Published Ubuntu Xenial powerpc release universe science Optional 3.0.8-5build2
  • Published
  • Copied from ubuntu xenial-proposed powerpc in Primary Archive for Ubuntu
  Deleted Ubuntu Xenial powerpc proposed universe science Optional 3.0.8-5build2
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to release

  • Published
  2016-02-15 17:24:27 UTC Superseded Ubuntu Xenial powerpc release universe science Optional 3.0.8-5
  • Removed from disk .
  • Removal requested .
  • Superseded by powerpc build of aces3 3.0.8-5build2 in ubuntu xenial PROPOSED
  • Published
  • Copied from ubuntu xenial-proposed powerpc in Primary Archive for Ubuntu
  2016-02-16 18:10:10 UTC Deleted Ubuntu Xenial powerpc proposed universe science Optional 3.0.8-5
  • Removed from disk .
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to release

  • Published
  2015-11-23 02:04:24 UTC Superseded Ubuntu Xenial powerpc release universe science Optional 3.0.8-4
  • Removed from disk .
  • Removal requested .
  • Superseded by powerpc build of aces3 3.0.8-5 in ubuntu xenial PROPOSED
  • Published
  • Copied from ubuntu vivid-proposed powerpc in Primary Archive for Ubuntu

Source package