mpqc binary package in Ubuntu Precise 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:
  * 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
  2012-01-22 16:04:13 UTC Published Ubuntu Precise i386 release universe science Optional 2.3.1-11ubuntu1
  • Published
  2012-01-22 16:04:46 UTC Superseded Ubuntu Precise i386 release universe science Optional 2.3.1-10
  • Removed from disk .
  • Removal requested .
  • Superseded by i386 build of mpqc 2.3.1-11ubuntu1 in ubuntu precise RELEASE
  • Published
  2011-12-05 14:08:38 UTC Superseded Ubuntu Precise i386 release universe science Optional 2.3.1-9
  • Removed from disk .
  • Removal requested .
  • Superseded by i386 build of mpqc 2.3.1-10 in ubuntu precise RELEASE
  • Published
  2011-11-11 14:04:26 UTC Superseded Ubuntu Precise i386 release universe science Optional 2.3.1-8ubuntu1
  • Removed from disk .
  • Removal requested .
  • Superseded by i386 build of mpqc 2.3.1-9 in ubuntu precise RELEASE
  • Published
  2011-10-31 10:04:28 UTC Superseded Ubuntu Precise i386 release universe science Optional 2.3.1-7ubuntu1
  • Removed from disk .
  • Removal requested .
  • Superseded by i386 build of mpqc 2.3.1-8ubuntu1 in ubuntu precise RELEASE
  • Published
  • Copied from ubuntu oneiric-release i386 in Primary Archive for Ubuntu

Source package