mpqc binary package in Ubuntu Trusty i386

 MPQC is an ab-inito quantum chemistry program. It is especially designed
 to compute molecules in a highly parallelized fashion.
 .
 It can compute energies and gradients for the following methods:
  * Closed shell and general restricted open shell Hartree-Fock (HF)
  * Density Functional Theory (DFT)
  * Closed shell second-order Moeller-Plesset pertubation theory (MP2)
 .
 Additionally, it can compute energies for the following methods:
  * Open shell MP2 and closed shell explicitly correlated MP2 theory (MP2-R12)
  * Second order open shell pertubation theory (OPT2[2])
  * Z-averaged pertubation theory (ZAPT2)
 .
 It also includes an internal coordinate geometry optimizer.
 .
 MPQC is built upon the Scientific Computing Toolkit (SC).

Publishing history

Date Status Target Pocket Component Section Priority Phased updates Version
  2013-12-17 22:13:27 UTC Published Ubuntu Trusty i386 release universe science Optional 2.3.1-16build1
  • Published
  • Copied from ubuntu trusty-proposed i386 in Primary Archive for Ubuntu
  Deleted Ubuntu Trusty i386 proposed universe science Optional 2.3.1-16build1
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to release

  • Published
  2013-12-17 22:18:50 UTC Superseded Ubuntu Trusty i386 release universe science Optional 2.3.1-16
  • Removed from disk .
  • Removal requested .
  • Superseded by i386 build of mpqc 2.3.1-16build1 in ubuntu trusty PROPOSED
  • Published
  • Copied from ubuntu trusty-proposed i386 in Primary Archive for Ubuntu
  2013-12-19 00:10:11 UTC Deleted Ubuntu Trusty i386 proposed universe science Optional 2.3.1-16
  • Removed from disk .
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to release

  • Published
  2013-11-27 18:40:23 UTC Superseded Ubuntu Trusty i386 release universe science Optional 2.3.1-15
  • Removed from disk .
  • Removal requested .
  • Superseded by i386 build of mpqc 2.3.1-16 in ubuntu trusty PROPOSED
  • Published
  • Copied from ubuntu trusty-proposed i386 in Primary Archive for Ubuntu
  2013-11-29 00:10:11 UTC Deleted Ubuntu Trusty i386 proposed universe science Optional 2.3.1-15
  • Removed from disk .
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to release

  • Published
  2013-10-26 00:28:55 UTC Superseded Ubuntu Trusty i386 release universe science Optional 2.3.1-14
  • Removed from disk .
  • Removal requested .
  • Superseded by i386 build of mpqc 2.3.1-15 in ubuntu trusty PROPOSED
  • Published
  • Copied from ubuntu quantal-release i386 in Primary Archive for Ubuntu

Source package