aces3 binary package in Ubuntu Noble amd64

 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
  2024-04-09 05:12:58 UTC Published Ubuntu Noble amd64 release universe science Optional 3.0.8-9build2
  • Published
  • Copied from ubuntu noble-proposed amd64 in Primary Archive for Ubuntu
  Deleted Ubuntu Noble amd64 proposed universe science Optional 3.0.8-9build2
  • Removal requested .
  • Deleted by Ubuntu Archive Auto-Sync

    Moved to noble

  • Published
  Deleted Ubuntu Noble amd64 updates universe science Optional 3.0.8-9
  • Removal requested .
  • Deleted by Steve Langasek

    superseded by release

  • Published
  • Copied from ubuntu lunar-proposed amd64 in Primary Archive for Ubuntu
  2024-03-30 06:10:16 UTC Deleted Ubuntu Noble amd64 release universe science Optional 3.0.8-9build1
  • Removed from disk .
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    CVE-2024-3094

  • Published
  • Copied from ubuntu noble-proposed amd64 in Primary Archive for Ubuntu
  2024-03-30 06:10:16 UTC Deleted Ubuntu Noble amd64 proposed universe science Optional 3.0.8-9build1
  • Removed from disk .
  • Removal requested .
  • Deleted by Ubuntu Archive Auto-Sync

    Moved to noble

  • Published
  2024-03-29 03:56:46 UTC Superseded Ubuntu Noble amd64 release universe science Optional 3.0.8-9
  • Removal requested .
  • Superseded by amd64 build of aces3 3.0.8-9build1 in ubuntu noble PROPOSED
  • Published
  • Copied from ubuntu lunar-proposed amd64 in Primary Archive for Ubuntu

Source package